ase

View on PyPIReverse Dependencies (486)

3.24.0 ase-3.24.0-py3-none-any.whl

Wheel Details

Project: ase
Version: 3.24.0
Filename: ase-3.24.0-py3-none-any.whl
Download: [link]
Size: 2928893
MD5: b3d6e2f0f071cd91b85d29ab759008d8
SHA256: 974922df87ef4ec8cf1140359a55ab4c4dc55c38e26876bdd9c00968da1f463c
Uploaded: 2024-12-28 22:20:29 +0000

dist-info

METADATA

Metadata-Version: 2.1
Name: ase
Version: 3.24.0
Summary: Atomic Simulation Environment
Maintainer-Email: ASE Community <ase-users[at]listserv.fysik.dtu.dk>
Project-Url: Homepage, https://wiki.fysik.dtu.dk/ase/
Project-Url: Repository, https://gitlab.com/ase/ase.git
Project-Url: Issues, https://gitlab.com/ase/ase/issues/
License: LGPLv2.1+
Classifier: Development Status :: 6 - Mature
Classifier: License :: OSI Approved :: GNU Lesser General Public License v2 or later (LGPLv2+)
Classifier: Intended Audience :: Science/Research
Classifier: Operating System :: OS Independent
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.9
Classifier: Programming Language :: Python :: 3.10
Classifier: Programming Language :: Python :: 3.11
Classifier: Programming Language :: Python :: 3.12
Classifier: Intended Audience :: Science/Research
Classifier: Topic :: Scientific/Engineering :: Physics
Requires-Python: >=3.9
Requires-Dist: numpy (>=1.19.5)
Requires-Dist: scipy (>=1.6.0)
Requires-Dist: matplotlib (>=3.3.4)
Requires-Dist: sphinx; extra == "docs"
Requires-Dist: sphinx_rtd_theme; extra == "docs"
Requires-Dist: pillow; extra == "docs"
Requires-Dist: pytest (>=7.0.0); extra == "test"
Requires-Dist: pytest-xdist (>=2.1.0); extra == "test"
Requires-Dist: spglib (>=1.9); extra == "spglib"
Provides-Extra: docs
Provides-Extra: test
Provides-Extra: spglib
Description-Content-Type: text/x-rst
License-File: LICENSE
License-File: COPYING
License-File: COPYING.LESSER
[Description omitted; length: 2443 characters]

WHEEL

Wheel-Version: 1.0
Generator: setuptools (75.6.0)
Root-Is-Purelib: true
Tag: py3-none-any

RECORD

Path Digest Size
ase/__init__.py sha256=JbdimE3B-ojWHqUkC1bD5L16Ew6NeGTRYBhMNeXnu_w 400
ase/__main__.py sha256=t10eNLWpUm5PI5onYMMLOgIFktFyRRaPK7Y7HeysBmM 38
ase/atom.py sha256=bOy46l20BzEaU13p9-fRBOyh6WiSg5EDy5FLFpe_1To 6651
ase/atoms.py sha256=ERNNy1-3gOgWvr-kNDlLVhbNO_sXv8ieYt4poOa0haA 73899
ase/autoneb.py sha256=2Tw55zaB1nJC2TYMiZGM8xtmC8EnKUSYIOldMNC0EQA 431
ase/cell.py sha256=8SJhg6sAetK4McPYb4NYWxUi1MLwToEXHRhbqyMwLfs 12712
ase/codes.py sha256=rvXAx4DIZgCYWqR84qhTsGA00LuUz1Sl3WWoFHrXhDg 8176
ase/config.py sha256=3ySTV7Py9hirnZFm2Y6h0pF4-_W__16fKPtxI4tWyuA 4435
ase/constraints.py sha256=G4Way76ubuhtx_LeQSPYYfYEB06nzzjzCoIeMshmeEA 90426
ase/dependencies.py sha256=VK0Z1WLRZ0ma3x6G6zcB_VvAXDYKa8IGw-B79338Ucg 1020
ase/dimer.py sha256=X1oSpknGFHp5mVfRtJpJlReWzWcifvzyBbdN8OC-UC8 1221
ase/dyneb.py sha256=LpVlG87Y0V8CL7t26gRrCdGamps2ctMzGQCtU3sNr9c 416
ase/eos.py sha256=fXmCoKx8Xq_JhkI7FuJHBHlwEY69rOn0O3XlnxDuhIY 13793
ase/filters.py sha256=LWkZFiMJCmZbXbVBeaOfh0nJgkdP1KJbPMF0HAeiyYY 32765
ase/formula.py sha256=HsYCTfkd67jrFrY66O27QbLTBlQIfjukm9zT6pRbhR0 16769
ase/neb.py sha256=fp7PfkszC-9Lj6J1-VV5DrF0PsXB4ViVMT-5KddhsCg 1466
ase/neighborlist.py sha256=a_-45aU2UjnN1arlZY8lAta_ic0ITKUSqer-05t64dM 46074
ase/nomad.py sha256=tEbYaolJYNxpmr4OMGoUOHw1gf-FT39E0F7IAJbdxZ0 4356
ase/outputs.py sha256=gRUzKLVsngjz5igupyVYJoxMQWm6jk4DqPJBjRMaiTk 5666
ase/parallel.py sha256=PfeAqoX6UEkO0DXsNEgBBGBBy581DAvBDqBYx2nB-GQ 10349
ase/phasediagram.py sha256=OewBtVvco9kdvP-7RBs8Rpa9Xfb5neSrpK0wOhixyHc 27331
ase/phonons.py sha256=aUB2ve85rVfimZabw4gShRivCDTasXZb49LXpuNntx8 34000
ase/pourbaix.py sha256=pcnePREGDWpF84F_pfmTUC1YvENAKMp_sjNPHkPruxM 30638
ase/py.typed sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/quaternions.py sha256=0pm_QZKMQEBdZj0olvPWvg4lvucdy14XXdJAmUR00vs 7709
ase/stress.py sha256=ZXXcCp4S4PZ2Q6Nxe2dWiC4GTQyuu-1C9K0yySmzCLg 3252
ase/symbols.py sha256=xWdmKByeYEBAq9OtqP6vuHV44jlpIhLxLtwE6_BDgu0 6250
ase/thermochemistry.py sha256=CfcO6ZOAAyYs0Ws9RhXvRLlvAEiQlWZ07lsAw1cKbKM 31262
ase/units.py sha256=UzHgUSr2L4Pt5fl6Qh0m5tQj4HnmrIJV60uJVA5A1QQ 9038
ase/build/__init__.py sha256=axPqJj0uymG9lxZFhQcj-sNnz2CasBuT4PKAoHxoawo 1749
ase/build/attach.py sha256=O9HpAGlbcbfw4FYuLE6MSyCZqvr7yZ50MVyIDBxtc4Q 3587
ase/build/bulk.py sha256=hnsU4OUNMh-ykUPEMrR44NEHB-OPWueCG3aeV-_DJSM 13356
ase/build/connected.py sha256=woxVPcBeiLeMmvgk31YVv9xU4Gc_HpQnVPP-j2JhUdA 2600
ase/build/general_surface.py sha256=RZK6knh0ziK8r8LOTiLxHNAYknMUqBc053BJgOdhdFk 3773
ase/build/molecule.py sha256=HXJlOxkmeYTJifoQeqEh3KelgCyTWwxbWtkaArLzXLI 9932
ase/build/niggli.py sha256=29mtBP7JdRPDmdAJ0HUyKHLXADDNsD28mWngRE-BLSs 5088
ase/build/ribbon.py sha256=IeumHZlVAG3yHQAZchzqaJ_EX5c0MKTnQJxD9GDZu6Q 5813
ase/build/root.py sha256=JWeH9yFutogUaGJnBNAiXG7YDUSQqthuAXKFLejNsKI 7433
ase/build/rotate.py sha256=PXH_oYns4RkuKhAJ28L2izniXS8w6pvXAAoF00ZPvkA 2993
ase/build/supercells.py sha256=aL6QumNssmzLeftlwEUgP1ejryz9wXN74ZdjzQh8-gM 11057
ase/build/surface.py sha256=SaYKITb4_s1_efZHYiSVR0l1ZHaayrXZHnxJoW5ov0Y 19406
ase/build/surfaces_with_termination.py sha256=DVrXp-mqp0T9Yh-iX6EVBefTZ0AMlpMdnkUS14JAPN4 6436
ase/build/tools.py sha256=z3hVjeb1gGs8c-uG5v0I4cFNaSJaN74NiT9yYXb1mwE 19987
ase/build/tube.py sha256=qYw9yOI3dPS9l68bXgt1CY6RhAUS5ywb2_w8ByYBxQc 4681
ase/calculators/__init__.py sha256=Ls7AaRwW3wr8sc3eR7TccuvsbZF4z2Gk7H_HaqpVkAU 64
ase/calculators/abc.py sha256=P9DNIPjhQpmn8_u4wH2GKn6bNAS0-vqAAt4z59k4dCM 3506
ase/calculators/abinit.py sha256=50buIVL4nisA4ucyY76Wm7d4Jvkbs7VB8TpiUOrz1VQ 4138
ase/calculators/acemolecule.py sha256=JSGRrTspT41wDkC7y7X3_g6uX91WW719qMMSlNYESg8 11908
ase/calculators/acn.py sha256=RSmno0SpZuLgL9jawc0gJB23ub2zxDdMCTVed5dqdM0 7914
ase/calculators/aims.py sha256=0q-ZXBTrEGB4jzlGW8dg3lGv-HP4lOEhHnlmjLULhKQ 9174
ase/calculators/amber.py sha256=rNSsnTVhVUaNKggNUZeoCMCvoYTBGxZVfL8L0eV3rcE 10697
ase/calculators/bond_polarizability.py sha256=kwx7WMxQaAFGEi-8HI2s2NZpbc6cN53AUm1mM1qxy8g 4756
ase/calculators/calculator.py sha256=U2lNwVbgMPoHgl2fTeygiw9R4bt-Mh3iZQx5PBdOmTw 38731
ase/calculators/castep.py sha256=VkPl7gA1IUmQRKNlwgDvx9Xhb0kkXdUwK7S1iVYK1tY 76782
ase/calculators/checkpoint.py sha256=EPO-U1w-c0U52pklLIc3uNY-0uTcdcudnN_tr437cxo 10453
ase/calculators/combine_mm.py sha256=Dzy_AfMLEbvdbBBJjjRYLznrlVRobclbgWIuVeYU0J4 10586
ase/calculators/counterions.py sha256=Jd1T1YSz8oFqzzp2in8rKD-YXvvYqNNWNEYhbwYTpCQ 2777
ase/calculators/cp2k.py sha256=bCH1_j5Q2ovNcwMrqA3PwTAWcJgoYvKs50KqgXDG0Uc 26977
ase/calculators/crystal.py sha256=A0u-G1jUyv-dlOcm_7OGiwfRg0viBN743LydTEQx5AQ 16971
ase/calculators/demonnano.py sha256=kCcmr1Mue_V5ayGMUjDqg6G48j2wS0Zy6_vKsTchwt0 11640
ase/calculators/dftb.py sha256=_OIiuw_LD-O5D1qZ_7btJEpCwzCb-5EeSHk519HJ794 23130
ase/calculators/dftd3.py sha256=kkIuVAPYKANOcAVqd9LXkrsPdLJS99cZZYK-P7BNbVo 21490
ase/calculators/dmol.py sha256=0DL3yiiwZZSV7wCgq3RJ7wZeNe8oY0nNYVpfZR_1CpU 22322
ase/calculators/eam.py sha256=53cU_CN62xwFnkBkmEGt3mRD1YXUfzqkYuOOJHDx41Q 37352
ase/calculators/elk.py sha256=ebkZPC-SgGncxtYj0WIsqm62C-2RpbHZVjbscmO8OhM 1648
ase/calculators/emt.py sha256=p_mUl-7ef9UsL70X6OfhPSsamv2Y7Shqh_u7i_ajxG0 13417
ase/calculators/espresso.py sha256=SjB7vzGwu84P0BfE-qSGOhsZ1Rv6QJ3pM7nvlVle7qM 5872
ase/calculators/excitation_list.py sha256=pdUUK7NvlsXtNlnuppvp2lmr1g1mvFzbRx-3aZGxJ_I 4548
ase/calculators/fd.py sha256=1dF34ALMnjZEphRDXqcMxqX2OSAPz0rY77dLc3PexkU 5169
ase/calculators/ff.py sha256=_E0lJSmceKP7Ql16Zc_2axfAqWSuKqiY_UPRvFy9150 6840
ase/calculators/fleur.py sha256=HjYm9SgR1qdHF2F5iy5pb1hmNNa6F0KDvUd-NET_QY4 219
ase/calculators/gamess_us.py sha256=a3uv8apCi769FZrhTh1HJ1854sQBHWnjRw7vzj7wSu4 4278
ase/calculators/gaussian.py sha256=mLxHxVAFie1OQn_4Z0ZIRJUln4mygLsOhpbfIGWEflI 3755
ase/calculators/genericfileio.py sha256=j3X2XqP4apa3IwKHuNdIGmtLEO-qPbxXAgmZJvi5A38 10118
ase/calculators/gromacs.py sha256=kmArWLnpPDHRGSU4M2NOhIXrxAOk0ziZm8ziUTf55ns 14029
ase/calculators/gulp.py sha256=eoo3P_q0Tmmh4unm4BEZ6csoIJ-uJz9SsTSm_SMUAcc 14322
ase/calculators/h2morse.py sha256=XwqWKPLukf_FmNZ5fsOHorwoBWkiVg_aAYgFfCcycuI 6851
ase/calculators/harmonic.py sha256=FbPC2j_gt1A6lPXfN9eiHk3BAXAmVzrl599syiwiXMM 18693
ase/calculators/idealgas.py sha256=1-TeT3vL9acIU_kI-dD2wuNpnWmSWm1n6ncA-s4MtvQ 1098
ase/calculators/lammpslib.py sha256=bBHOm3iYzQdSluZ_CnQRQoauVie3bziCfuEUlk5D6Vs 28820
ase/calculators/lammpsrun.py sha256=1muyGmq-pbR-GZTdf7iI4f3jEkJHwHyyIG6DGAO-6tY 21332
ase/calculators/lj.py sha256=Y3rEqFTkGaiLqpW-veDvd32n-OLR9hrEP7pjshu0pKQ 9448
ase/calculators/loggingcalc.py sha256=qMWBEbiJ4qM-4Mn0DslYIEuppclrsRuOyRPmUr2cPf4 7140
ase/calculators/mixing.py sha256=89RO2CTH9-czGTkVRdcB5cDuLlcpFP1PQr9wTlqIvK0 6049
ase/calculators/mopac.py sha256=VPBFR-C-a1I53PWX67ipKosD2Zn-h6KrKFwDkCqgPMY 12044
ase/calculators/morse.py sha256=MYrX1v2YTFyTh1GDY1VTKLubnjk4Rq0I4uBvSrIRrYg 4340
ase/calculators/names.py sha256=-Ti6RozLDbv8cSBIMprlCh9u3Jt0qetw2FqvWM5LI9s 1315
ase/calculators/nwchem.py sha256=39Wqp4rLi37CDyRa6Th6_1x4RhNBudl4UjRzFSKMvsg 9406
ase/calculators/octopus.py sha256=dv9MKIN6rluuRlQ6Oofah1DjfXnjtT3gXpt4JRc3kow 3671
ase/calculators/onetep.py sha256=5EODL7yjL-SsI9DxTehFSQqyaUT9jbRdZfQE1xadhdM 5088
ase/calculators/orca.py sha256=8ExdTunQIVIbTvIlNqvujhxaSIuqTF0jYRaJGtmrHKg 2832
ase/calculators/plumed.py sha256=xKVEdkDPstHqyAzZqCqe63spIbbxa8yHQDNtH20jv-I 9222
ase/calculators/polarizability.py sha256=ufBAIWVsqk4vpCWMQv6KXOJ-6ikvjErcT6czksztp2E 391
ase/calculators/psi4.py sha256=Bl9kjqb-HbvstfArU9cvkcKGI5IQnr-rcdHoEZmclZE 8224
ase/calculators/qchem.py sha256=FyiIGhYXhdIEP3lld-rVvWiGoVhi23VkpGOKAT1zrSw 7244
ase/calculators/qmmm.py sha256=7Fficjo8ee5Yzl0ZDIkbjGuZTdteMI1PHzG5tDrRvVI 32172
ase/calculators/singlepoint.py sha256=suGPS2YEm_8AWVK-oSQ4yWYoriHSEdQeMmxYU9TvGCk 8822
ase/calculators/socketio.py sha256=Sl_FZyGgmLXXokwbvYALXQ6A9lc2T6BDK6EXS-G7i68 26547
ase/calculators/subprocesscalculator.py sha256=PgWthwx5qR-88Yl8cqopCRD8lL_159RNL-h3vrjKt3Y 10625
ase/calculators/test.py sha256=ku5lPtGk7fBGJBIUf9A840uvmQ59ZDW9SmkDh6kXWVg 5550
ase/calculators/tip3p.py sha256=zD9EtQEanL6Ku2maq80uLD1tnkLJEdMjoHgGAdq5zb8 5434
ase/calculators/tip4p.py sha256=MtQQ4WhN4WdVCoANwzre225B1cYj0uv5TgareFrSz0Q 7338
ase/calculators/vdwcorrection.py sha256=QlM8ig3hu8DxTK8Vd9ddX0S4EMFsZ8GnWvoh8rTB8Wk 15002
ase/calculators/demon/__init__.py sha256=_DptWucGO-9Wz24_WYPQohWo5ATzZYtEtias-YyqQlE 67
ase/calculators/demon/demon.py sha256=eWBsQwVRp2roNmlismfXa0gNOFZS5BXPPnHe3VP7M2A 24367
ase/calculators/demon/demon_io.py sha256=uLqavxOaNOBKcVJ1yUNh4gZfaP-XDzHJpaoBoAxFICM 1082
ase/calculators/exciting/__init__.py sha256=UdXi14Hw6V8jyohC_nYbAUk5OJ3oh4CUO6LaH45t1xI 97
ase/calculators/exciting/exciting.py sha256=25MjfKDu4RA8eH7VWmR0CikHz1YI_LCDc8r2QhOnY0E 10937
ase/calculators/exciting/runner.py sha256=TTIP1vK0x5DB54ZRafSvvFekbqa4bD5_EYeikMguzks 2717
ase/calculators/kim/__init__.py sha256=i8pKqMcq5IaqVQluX0qwgSll3SOy7WJ637yLAOvDA_w 143
ase/calculators/kim/calculators.py sha256=dIOFf2HKocdo8mPn-NvjpbvytdB3xG-XcaLZkug-G50 8853
ase/calculators/kim/exceptions.py sha256=__UgUI_i3bszVdyPR8TFupTg-MX4qVz4V3GyhCEWbG4 1141
ase/calculators/kim/kim.py sha256=ipmTXWfGyoeh7UmbhEAJIxbeyhQrmui94DPGUNsr1lE 8006
ase/calculators/kim/kimmodel.py sha256=6Ab8tEbN6Pf8XmakrcA9KSG3rSXXN_E5-7qckvF9e9M 15467
ase/calculators/kim/kimpy_wrappers.py sha256=_CsxMrq0vVkP6JM8aojqYSJEfP_2n_qZSW5Odz02M2s 27119
ase/calculators/kim/neighborlist.py sha256=T1aDD9vVbTTTXjradlodAwfduH8Rwl8DRy5cQKA2awU 16821
ase/calculators/lammps/__init__.py sha256=mP8EtVXNsKmhqZbZt_K7n19PCKx-COQdW09RRudHxes 270
ase/calculators/lammps/coordinatetransform.py sha256=cXiTRgdYq2BJy-4TSUWxtJkbLneZU8oCEkqnUcjYZUQ 10394
ase/calculators/lammps/inputwriter.py sha256=krE6FOD7f-ZGsRcrYpRVfeVLXz09lxlK4QQrUVbKdNI 8315
ase/calculators/lammps/unitconvert.py sha256=FI4FcyF8NxIhjL3J1XNY9xuzV94gLwGBrGA6RT8kbJY 4892
ase/calculators/lammps/unitconvert_constants.py sha256=rMXAtT8lCT0BbCUueT03NSE3uIaG8LAws0fODSyx_PQ 6107
ase/calculators/openmx/__init__.py sha256=wS8WRJ2kfkmFxyLuboroR7CMowOs_kTYMhm3rB0H3Bg 97
ase/calculators/openmx/default_settings.py sha256=hIRNLnhC6Sf14uWDHIyuXOXtGNQ3WEl4XLUKhKU5VuY 11234
ase/calculators/openmx/dos.py sha256=DjG0cQwUINSz6UzkcjMY3mY9QOsWFvTFGdyup-KGOuk 23898
ase/calculators/openmx/openmx.py sha256=WGuSQh7bTVPTRG4eZRFd1anf2fEm536H7BvVvbZ9rfQ 27575
ase/calculators/openmx/parameters.py sha256=iPhJ3L0EGVBf50ECSpH6zFrHXQVRBSn-Yl8nORCwohA 9252
ase/calculators/openmx/reader.py sha256=u4WbgglqrzY8oQTu4XxWJd2AnCzxd0sk1C3HrP-6GwU 32720
ase/calculators/openmx/writer.py sha256=UZgSiQR24UeiZYIBQo83q3Q79R6rOLrdAZTdGcqQzSg 26115
ase/calculators/siesta/__init__.py sha256=FO-TAvxKnTO1bP5wpbyDdix6VW09JWVrxPyvB6LUZ_Y 71
ase/calculators/siesta/import_ion_xml.py sha256=p3t_-YND6f4DD5wUQPBDkmHeeAPFCgXcUSI0rJYknq8 6385
ase/calculators/siesta/parameters.py sha256=cOdaq4vh9_IxbKnkEo4dWPz1NtyAWXEKttjQycFJ4js 3242
ase/calculators/siesta/siesta.py sha256=yFd2zYvg9KBwYoAhCZBkkq6aD2sFcEvp7RlSguOJIxM 27843
ase/calculators/siesta/siesta_lrtddft.py sha256=-AagP-vbyPdEzP5D_bu-3P9aVzrpQ4ULLW16-q6wiIE 6484
ase/calculators/turbomole/__init__.py sha256=d_lpRGMzleFFP6kxWEhEgp6uniehZpm6H2-s3Mtz27s 167
ase/calculators/turbomole/executor.py sha256=jxgf3mwPpmo-swDGe80HSw9Ve_8ohd5xUERxtckjuRs 969
ase/calculators/turbomole/parameters.py sha256=utescYlfiXkjvu8cFsGQUUA_Wa7ljHjzIidbiryb32s 29192
ase/calculators/turbomole/reader.py sha256=D4ne3m_5BlEGd9M6SFCc7fVzwYr5aIGBoxXMeCu94KQ 25990
ase/calculators/turbomole/turbomole.py sha256=ZrUsatNvcFrBKKncuS-alt36uB7Z8wK652d6nQghgqA 24691
ase/calculators/turbomole/writer.py sha256=qpdWNzjekEg7nPkhYv7tzJT39qMWGBc3_wRNwlKeP7s 675
ase/calculators/vasp/__init__.py sha256=orW-Z9TF2phhQ63taYfLyJDCXCFMyjltCCn45zjXI-c 273
ase/calculators/vasp/create_input.py sha256=EYEp-fvJjK3spHcnF0znjDuPc5T8djiFVegmKOnGUuw 87903
ase/calculators/vasp/interactive.py sha256=LJXUaN4wZdDafu0ueeLyEpykHn8OwNPNcKWew4eYM3Q 4990
ase/calculators/vasp/setups.py sha256=cMwmTZREAEGSMATkfvaq__4KiHLQVdNuI4wGMmeoug4 4828
ase/calculators/vasp/vasp.py sha256=fzbUWjj96nqz1WkasdTVMJWZs2cucn_OBaSrsIVSCE8 48002
ase/calculators/vasp/vasp2.py sha256=yTTcE5TBGlQQL66_IcMJhIjuQO6oGxKWbdobV05plrI 1094
ase/calculators/vasp/vasp_auxiliary.py sha256=D77QU2JXodAKWw9OjFNZjARnHeynqNqGeXYiHb_EVeM 14073
ase/calculators/vasp/vasp_data.py sha256=gYbbDdiBUKHmue2zDvHCLehs7snZ4MKH5SvWp7nNrho 4742
ase/cli/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/cli/band_structure.py sha256=X-NQVwFj0qZEZ4ABbyhkYFL7ZszenwGK_VkDQ_FRpcE 1702
ase/cli/build.py sha256=ZLNJ8F_dB6KcfOs2b2btZWEuiEoysnOb5aI7scTECzI 6745
ase/cli/complete.py sha256=NO4fis87JfDKaENLIFMzIRLzAlkF9gbS59Ow5MU7gAk 5044
ase/cli/completion.py sha256=789zDaxRhxwMymXIVfabwvytMVmThx57mjcbuSZ407k 2726
ase/cli/convert.py sha256=0KYJkmXu3IBdHtcVGv67J8CZ6973sFztlwa7DXx2NHg 4873
ase/cli/db.py sha256=w3imHN0m30fdnucQOneiaVRJgLxTYRX5gfBYyN4W2L8 4927
ase/cli/diff.py sha256=hyJSCC3Zrg6zbvgIGvMaqV92wJgsteVLMRA9BW6pOy0 8470
ase/cli/dimensionality.py sha256=LFqYxz8wYv1jsU0NIWitssNmYXDfoSFuKf5d38Z5_3U 3562
ase/cli/exec.py sha256=xneCBfkAP7AQ--ZcxA63WAfYzVpHsdF1b5R5RdHk1S0 2863
ase/cli/find.py sha256=8Q9Ve_jjyF44hGG3-Ox9AVPfV2559nW6E_tObj1slzk 4068
ase/cli/info.py sha256=XBHngGw5x-M1_QSY6x41-_yk9J3uVuUPvxqI81B-kW8 3669
ase/cli/main.py sha256=jRGd0WIBcWJfPIkNtfJJKxT0uaEOwvbWA3Oa2QHL4yI 4737
ase/cli/nebplot.py sha256=2GsvC852bfzR3e19mC-qb_dW9Cbt31JENM-ZmlTPE30 1762
ase/cli/nomad.py sha256=H7tXW9hkg0VNiC-DqkwbvyqVkF9CVkoCIKA9fp5bCKA 2870
ase/cli/nomadget.py sha256=2La4zRCwwVQqBbDrLmocVn-r396BEuA-gq9ZCvQKZQY 739
ase/cli/reciprocal.py sha256=KFhcIGrqsObDLRkfG2YyNLa-5GzbE0oR8cHpFiS9ZzQ 2081
ase/cli/run.py sha256=0P2Vd7LThBLjcL-x5Y24AGYrSO4AJBuuYoNYkEC8Pns 8416
ase/cli/template.py sha256=mB5WOwfGAnhqOCrFiNbo-UXKkeU4sL1HGKvTr0xGK_I 10587
ase/cli/ulm.py sha256=xx_FxfMZeLbhKshuGBYmU2XvBZS2mgg4pelPCWCK2vE 1204
ase/cluster/__init__.py sha256=W_cK1dDmnUVX9B42FhNK20oHy1XGkPwd6ygPawO2CZ0 618
ase/cluster/base.py sha256=a_jzHmq2T_YMuzQqzKlOjZAoqs_XCqD4KZvUpoIbIOE 4462
ase/cluster/cluster.py sha256=6W37T23hwdAadHsFCsU-mvU3-I8URjaOYwuEmWrblXk 2571
ase/cluster/compounds.py sha256=lTiIAohVmzeR7E2t-VJ9dGyaWvEcL4cneOeBSbyA1GE 486
ase/cluster/cubic.py sha256=ZkziwkNSgpPGET-G8LwXaebIXqZbyEFnBJVR2yOpnnU 1777
ase/cluster/decahedron.py sha256=xLo_PFnKVKOzdPcubibH9nfsvGZqRKzKR6LOXQnAxos 2760
ase/cluster/factory.py sha256=rjneyby9mDI2EGCkVs6R7oJdEIWHqeS8KJO5Yu51Amg 8617
ase/cluster/hexagonal.py sha256=s4HEyBBvlXTuuTfKNqCQ5gVBSHadGAX5Z7gLtmUj8fY 2740
ase/cluster/icosahedron.py sha256=TyFF5FmVuIv41Aax_K9T3IRPqIrQ1cpjw5klJi494fw 3700
ase/cluster/octahedron.py sha256=HDycHunawipBb3RtWsKeO6W7LDbZZ7Cquu4oY2QI2qs 2037
ase/cluster/util.py sha256=ODBQs9uLXosHn3yOgSBqvwHEpnBuydj0AtmktcLVegc 911
ase/cluster/wulff.py sha256=mo9KRUwrrjiXGiGdnMaI9X8xQRNDtMop7SFbAL-quDo 6895
ase/collections/__init__.py sha256=jQpDKXFNcrZRrxiPM_pr0T8_3lTW4cA6BK-lCGNp_Lc 125
ase/collections/collection.py sha256=zxDVCLBWixib3LKKbNwU_s3BgLAvALIJ80_Fkcrb_hQ 2455
ase/collections/create.py sha256=6E15a0xXSHKIZENfz6OY_wu8NwiiLMy6MhbY7TWWKQc 1837
ase/collections/dcdft.json sha256=FQ4HAPM0hx6CqmtzN5dI6FTRpBn0lYiWbDElFW3ttt4 56688
ase/collections/g2.json sha256=jYg98RIlKzxsIdD6qvGaZCwyKsguGnXhjj-cQmfs0V8 72624
ase/collections/s22.json sha256=XmHP4NnxFphVWgdhRPY9-sFjTaoBTORlN4lLa4WLpEc 24107
ase/data/__init__.py sha256=BTOozLCgVwZUxI_2heF57ll6nI3xCxt5lYfcqtI5mOI 21616
ase/data/cccbdb_ip.py sha256=a013h7LYVr-Jq6Ddb2S72K_Iv_EhlT5r9dOYbI8C19U 2149
ase/data/cohesive_energies.py sha256=w5gfKJEGkfdzgPfWiV3iwTdcb1FlIzv8X2g37Ks2Pak 2062
ase/data/colors.py sha256=hDFWO6lydj-vKxaUi0IxG8lCX0w2gQ_MvN0mTYdj2CM 7232
ase/data/dbh24.py sha256=aMztXAM9r4kQj0C-9xdOEZko4vZHyYaO6bpwr9ZINCA 19333
ase/data/extra_molecules.py sha256=EkRZSNpE9OynoYLoUB2AsbfZ6KMykeY7gOLjStvQWhM 7657
ase/data/g2.py sha256=mUzK7Xo9tf-kc9QSbftr83ApTCKtN7QF_ne_gioDkks 1850
ase/data/g2_1.py sha256=LkWNYXUPNYzgCDJSXiPVKcZsGF9joOSljewzXb3DBWQ 39186
ase/data/g2_2.py sha256=ws0EFim1lRSO51Xuh3Qm-w_6gJbKP8_mJnK6IMGVCMw 82985
ase/data/isotopes.py sha256=uABIxSk_ztewLZweVygAv9uAB_5lrHApRqhcpQ-XCxo 2798
ase/data/pubchem.py sha256=qXULwctKh3zz93npbAD-3ZuugynsfTxbCzaBWCtns58 12305
ase/data/s22.py sha256=K1wOESZf3jTRp_4628sll9ky3rK84EfIAK1zZzFfmAs 197301
ase/data/vdw.py sha256=7FinIVnzYOu80sVFwKDFDQPjzjtKsdiW0rYwsGLRpB0 3020
ase/data/vdw_alvarez.py sha256=edL9mPRFJaF_XVXC_ATNDw2BwyZjreDdxYaByugJfMc 2088
ase/db/__init__.py sha256=Bvv2rUF44OEqMrPeAe1liEj6s9fuF11MNjJXchM1dB8 55
ase/db/app.py sha256=K1GMcyKZJWn23-v5oBLSe9l5jba1ktKpBTEf_H8qy4Y 5520
ase/db/cli.py sha256=PgJiTUoVZTSZHqc9kngo9r2CLlwyK42ZdZkteXICNl4 10572
ase/db/convert.py sha256=NH28rTzMtfwexQoSds3M4amIq7omEMakualCIYjsfEo 1888
ase/db/core.py sha256=HMrvgg1HOIEs64JdKUxZ1nS9HYHmsQ3Pt0DWE0vLep8 22996
ase/db/jsondb.py sha256=6UgCQZoRpeisXwTAgwYh95zzdSW2bLi-snG-dbF7W08 6691
ase/db/mysql.py sha256=hFgq0uascOkklG-FBU75J8myuSUMrX1KzhBhV5mfTkY 8817
ase/db/postgresql.py sha256=Hezs5CSd51XT6OHzWlfAf_vNo8I2e-Igh8LQ31pPFW4 6588
ase/db/project.py sha256=xJ0LQdKSNM_SO6UfmeBTvD0Ksg7RU_BnjBAPlTMZQWA 3027
ase/db/row.py sha256=FG3b6gZLmYJFZpi79XXJPy847qy5boFmkLQDmlmjPns 10208
ase/db/sqlite.py sha256=pCE__LZ6Cl-Smjn_tEjQQXnAaqkMJsvNTk0N550TLI4 33649
ase/db/table.py sha256=_4swdkpAQ153gIscanTvYB3_hroEA48V6raBh0iFje4 6205
ase/db/web.py sha256=znROjiUNH9StOMcKqgC04UPz3pPo4MB1vy1vVRIQt48 4740
ase/db/static/row.js sha256=s9INZl0MNtTaTJ5aG30u2EUmGlvUFqqnj_babYbakUE 759
ase/db/static/search.js sha256=dCLNqZ_NPNvaoUG2yaPw3uf90Z3NWSZG1RY1oU0mSP4 728
ase/db/static/style.css sha256=6bofR9N3cxdLMIxPObpM9k2sM49Qn3lpndQK1LGaO0s 755
ase/db/templates/js.html sha256=oOs7TcetnAAYBabNF0rjsiyW1zR0XeFyDGycqdlsZXc 613
ase/db/templates/layout.html sha256=ClMLXmlDl-E8rgpeDHlxWYBqoGVNKwVeAakULxBi15s 745
ase/db/templates/row.html sha256=pKfZ1_45vMYGcfZiP3q4kTcKdX4dmmg_6f-_UNSA0JQ 4369
ase/db/templates/search.html sha256=cDyCr7xAnaMHmidcryP2J08-apd8gaBkzlisXHrQU1o 2502
ase/db/templates/style.html sha256=V11FqXnCLRy4X0HlRROvlCk6H064GKxAvWFBDTlP3Fc 859
ase/db/templates/table.html sha256=g772mVTE1G2WOV_8D1vgUHk94NUeViFZBKF4FBzHT2A 4483
ase/dft/__init__.py sha256=NWBd4F57qTmf3Cm8mhudfIe1WfYDyBVCJbESk7_D1d8 779
ase/dft/band_structure.py sha256=zuLmXX7ajXtcFz7Lb2Tcb16htVMsGSRd2Dwj_MiwE9Q 545
ase/dft/bandgap.py sha256=fosPXhlNGwkqfiPug63t_AyyT6-dkPEmBX_rHEbELfk 6652
ase/dft/bee.py sha256=4PNXkkyE--_gQH8gtPKXb7TGd8bmoot7B7IIp0bSdTI 5787
ase/dft/bz.py sha256=-jNgrC3DPe_3krcf5bsp5vVieVo4uNkLlWv1jRjcvy8 12714
ase/dft/dos.py sha256=wy5ygZHR0dxS9g0nVrex-dTKOPRB0hc9eGaeCzgejbM 7793
ase/dft/kpoints.py sha256=CrsMbJCoM_Xrq22gRmgoKgljZpoj41lV_ghtc7-J6AI 36514
ase/dft/pars_beefvdw.py sha256=4JHp_-ACT9PCv9QburkZFS1OcXVvQtmZ0t4kAyvQyR0 23065
ase/dft/pars_mbeef.py sha256=hSYfvrT2OLphmOrRuc3UXTl7ySaV5PCl39BJ3kUlyTE 74966
ase/dft/pars_mbeefvdw.py sha256=aWnz7Q5ePB7QIsU2FSlRsppp2f9L5obN3jSx0gS6h54 14454
ase/dft/stm.py sha256=kcoP8iw720WQrs63eNyO0UtH1LFV8KfBVxEuP8yP67E 9436
ase/dft/wannier.py sha256=mEpF8AXWT_3F-iWyHoSZj6YxMNN22yInKGNvRlOG5Ak 43772
ase/dft/wannierstate.py sha256=nfil_PEcxVq19nDtJ8w4RqN8X2ALORMO8D4JZXJ-6o8 3462
ase/ga/__init__.py sha256=1DiBL8sCorvYgebwKGmiQhrxVDQhQKmKtqg6-4BTDVc 1758
ase/ga/bulk_crossovers.py sha256=vQvdg_MlNjkArJH-QCnY5gzXZhMPfz2B1Z4lsgUS9h8 279
ase/ga/bulk_mutations.py sha256=hmqRrIDe0FoVM1DXXNsf9kIXih9bce0UX8Z9696zMtg 310
ase/ga/bulk_startgenerator.py sha256=Zh8RJupKM74YoZLpMJjdq83VHaEGiQvlIasLb4sil-g 273
ase/ga/bulk_utilities.py sha256=ytLmrU6cIlSziFSqBYnIsLU0xy0_HbBzQ6LWFSzstMI 165
ase/ga/convergence.py sha256=fPfT1Ny1pdtOgXa5ke7xadFSTcRvJEm8qyIpnOfHh-w 3457
ase/ga/cutandsplicepairing.py sha256=1iAe-ASlcgmF8hof1MXGvGTqrJ-D_Hic7Q-LwLRP_MU 17956
ase/ga/data.py sha256=rGc_AS5trCP5nfu7tXh0cegath37M1vrU4PF-XxiCjY 17329
ase/ga/element_crossovers.py sha256=r1ma4fAOLXAeIjKHX9wMKdozylu5B2BS0ULpmN-e2Rc 5639
ase/ga/element_mutations.py sha256=7sqmt4jJRQue5AC8jNfIEQJbbPxQzodQ6GeO8mMdBCQ 24798
ase/ga/multiprocessingrun.py sha256=TwhfTd7GZSH7FujajVbkdSdrt7vPATEntqw2kV--i-E 1888
ase/ga/offspring_creator.py sha256=5RzhV6LQBxwNBp0bn4tMry1qxM5UHzJ0YqJCobfEwDQ 4240
ase/ga/ofp_comparator.py sha256=WGNSYauWIqFqTZMsHFZW1CriVk7DeQorlsuAHdPqlOs 20630
ase/ga/parallellocalrun.py sha256=vYtL-60hoFQWHSiKsTjywcQXOijMIrUuZdfEAV7OPo4 3380
ase/ga/particle_comparator.py sha256=LY5Hx0tSqJ-aS30M00p2dPthaWrbOjGS1ckpMbbnI_c 1240
ase/ga/particle_crossovers.py sha256=_-c4leLDDR-bs6zrrVA8FGfEpxhoYGyFRRwJeKCWHIQ 7329
ase/ga/particle_mutations.py sha256=tfCwBie6PRDXp_QCEVUnvdhtZ76aMvnv4_4fsKRLO9w 19004
ase/ga/pbs_queue_run.py sha256=2aeXOY_9Fae4OKWtpcuCWyf9twcerRwFP18LooIxPnk 4820
ase/ga/population.py sha256=OhOZyMEgJQVMoZGhxoIoR3SGphM7B2Fukl3knhVIBVQ 35127
ase/ga/relax_attaches.py sha256=9ZOy1UI6TcYY0JFHdlmfz9EPhgUyfkxuxVdLroUa4xo 2498
ase/ga/slab_operators.py sha256=_xNJmoBXER8Kq4Al1bON0UyJUwXAn5wVpUIiDdaxmRc 20346
ase/ga/soft_mutation.py sha256=6m0407RK59sSHaiUbXZBsvYg1E44MjBqx-LU3LhHFlQ 14325
ase/ga/standard_comparators.py sha256=kyNe3cbQ9W8NoWF9dH2Xam2Pncz-_SMrtO2RnMx0FEo 6282
ase/ga/standardmutations.py sha256=ZeOmC3K3b2iyITW4R0yba6r4rPrvx5H6R815I4lKwqc 24315
ase/ga/startgenerator.py sha256=jX32dX1jW4SAb6bETm5iKRo9ioqjeBoMw7GGvt08fBo 19356
ase/ga/utilities.py sha256=aVY3hIUQONJsN-bodMj0vvLFag-7BjvxSr6cPODy-m4 20051
ase/geometry/__init__.py sha256=N6RTx27IBpdDKemes-NOULOB6aA1UDB5YVHxCc9lo9M 1083
ase/geometry/analysis.py sha256=f5N91anec5XtsBnEDQvK2N8VSA-TVIakqy1BPbXNz6I 23538
ase/geometry/bravais_type_engine.py sha256=a3Xl0BoE5LJQUUV_oV6N_2FUxMA24TjyPvYtSEnvQRg 9661
ase/geometry/cell.py sha256=39ZUSEH7ePIkmzGDdd-3zFdfeM_6dd538ts-21BZqmM 5562
ase/geometry/distance.py sha256=NNlbV3qZUf6Jiho030f2ptj_FUzJ6vuv3sqSrjAPjNo 1777
ase/geometry/geometry.py sha256=X6p7-AQ5VF165VdQ5jWMZyjtetuhOkaJziJgbjWNdoU 16432
ase/geometry/minkowski_reduction.py sha256=B1DHJWhvLAiY-wLVXvNXJdrcJpaKMqsrMXHEEblotGA 7945
ase/geometry/rdf.py sha256=fKw0UOcV79mbKTi-lOkIlsNjJIKE8WgnQreg-5jNr3Q 4452
ase/geometry/dimensionality/__init__.py sha256=qKSiO06Y1h2K7WhX_ewaVcYetpYSsAoMruII6dpLu2w 241
ase/geometry/dimensionality/bond_generator.py sha256=caQ_nzkXahGKYkez1UthDY99qzCG8hepYHWxyxfNboU 1667
ase/geometry/dimensionality/disjoint_set.py sha256=pCQTvd_8qjxqe73GW6kmaJIckTm3JQP7F65XJtzXiOE 1390
ase/geometry/dimensionality/interval_analysis.py sha256=r9ECJijS5oDFzunhNmp7nMrA5LCPxFvN0XxVeh7BroM 5983
ase/geometry/dimensionality/isolation.py sha256=UtlWkR77gvIj3O7EP2dB9CcxNVKRECWmRiweVXGiy88 8580
ase/geometry/dimensionality/rank_determination.py sha256=N7nvzco30dG8jC1Aa-VQnREDdqv0cAyUkvNTRbwBNTY 6341
ase/geometry/dimensionality/topology_scaling.py sha256=JlY3yno6dSvjl9reJrTpZC92xncibSpn1A5vEtBVi9A 3286
ase/gui/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/gui/add.py sha256=gTr7dSz8Q4PugTxgPOyzmi9WBmW5u2zPacLgCGdoRnM 4846
ase/gui/ag.py sha256=JW2FTe1W9Pg38QqdOTPsILwjgI_kmOsK8FUyNjMsXi4 3885
ase/gui/celleditor.py sha256=Idcv9quaqmmwjkGMgcSgFsxpR7HY5aITq8d1Eo_VAVI 5553
ase/gui/clipboard.py sha256=JGkOaMPdlUp1ezddyhXK7fSqv6CGhLQqO3kOx3CeL2c 708
ase/gui/colors.py sha256=t4dSoA7gS5wK41mFeNnXNVlqrFPbwYJNa_9m1pIOt60 5907
ase/gui/constraints.py sha256=aM89Dz1omJhmu_1rmDhkN8eIk_dL8c4vwck97ZeRJMk 970
ase/gui/defaults.py sha256=OUL32F1rixdCPq9pbL4oOSC9xByEGRj8uhqUFtGTpWg 1153
ase/gui/graphs.py sha256=BomRi4eLoBwAi6n6RLWt6BC64b_C0mmil6R217a1mn0 3317
ase/gui/gui.py sha256=NW3foTpkSJCVQSFHtbHhuc_8a8C6dVxbQ-nu_w0jZE4 23574
ase/gui/i18n.py sha256=elbndo8xbhxPneJ07ZqonvwGfYtWmEDWsRkLmJTi3ts 1076
ase/gui/images.py sha256=5GpyTYvmR2J9twayqF91Gekl3ZBAGEj0aI_QZWj_s5U 14048
ase/gui/modify.py sha256=rKMLrwVMrYEJmAaL2qZh2KKxfpTU_NwSXhgArGdbvXU 1977
ase/gui/movie.py sha256=mpWIcX-kWsQAtHhnTnvq3wtl_sLFNxGSTOiN1rUQmcM 3005
ase/gui/nanoparticle.py sha256=rRviKgBgbR_uE6fWMkNp0ukzyQ3d_W_tyOAANuVWE_k 19548
ase/gui/nanotube.py sha256=zwBEatPJxu-jL6In7VaijVdZMuy_B3u3YHgMv73PpOU 2866
ase/gui/pipe.py sha256=nG2xTaK8j3qJ-FInPv2b-SjIAt6Kopf3GyNBTCuXssI 687
ase/gui/quickinfo.py sha256=32jJ7xLmNW9WSTFKNktx06hT2MXL779U7U6IVRaRCjc 4397
ase/gui/render.py sha256=M6DT3NOoGDGp6J4_0bbPFkR9AJu8HreMg-kEJfBZjdw 7704
ase/gui/repeat.py sha256=DubwmEqzUVtgkI1o7lOVH1NzyJc2XpbCILvZXurkXjE 846
ase/gui/rotate.py sha256=RTn_Ji8_HG2HP50TV5EKQlvm-VZa4obSTPInO9Nwlj4 941
ase/gui/save.py sha256=rkVTPk_7NKuhN2J27Sm32YIkLVMBxHX32OAxH56wpL4 2890
ase/gui/settings.py sha256=ExQjDAXJ9Q6HWrh9UwoN3G22v4ig5wMVOYn8r7VYGYA 2851
ase/gui/status.py sha256=jAZaJJuVjx-1KtK3be56unrJMVye5XHfes-7wtKaNzg 4740
ase/gui/surfaceslab.py sha256=6sl-kmXjg3L5FdXbr5tb9sfYCxqCi-UDsXEtbXpwskE 9381
ase/gui/ui.py sha256=7aTkxRkVRFY_AZFoOFjZN4T0s1SDSmsFEpGlcxOZaeI 20939
ase/gui/utils.py sha256=tqDN8CBxWciOfW3AYcRUyqtAiRguaB8NyjLFankFQTo 219
ase/gui/view.py sha256=VFhg-qeg9_PAqo-qH-C8ddW6zJ4VICmqIrV3ncgUbUk 23893
ase/gui/widgets.py sha256=CnOUnhvccJH4RQs7r4SU8KndIyGTLx9TvWFU05qYYPY 2396
ase/gui/po/Makefile sha256=W1ZXmc1yVhlbeswfy83XO1yP2RiWb-LdzhPcfWVhTf4 2878
ase/gui/po/da/LC_MESSAGES/ag.mo sha256=b8Qy0EtKSLGqZx6GUPd3KGnS0j3FheNPrGbswxDLd94 24886
ase/gui/po/da/LC_MESSAGES/ag.po sha256=F2v9tVRmTe2k37Oe1FVjTGKySAskhyv12dEHBB9UqpA 87341
ase/gui/po/de/LC_MESSAGES/ag.mo sha256=Qn1EgUgBzgq6dE5S5Gf9VTfTiTsqDIrlIt92NwUmp7M 18771
ase/gui/po/de/LC_MESSAGES/ag.po sha256=VhXiSF1J24S7Co-hGjYtd8VyYeMZbz_qOGS7kOUOeO4 65773
ase/gui/po/en_GB/LC_MESSAGES/ag.mo sha256=XxWDxmQn0gihLNJMH86IY-WpYz2_F9cjOX4YxyVZzHo 24533
ase/gui/po/en_GB/LC_MESSAGES/ag.po sha256=oCpz1gUlAWAZ6nZtQBan-OVASG2ENy7Rk_ym1XtiSv8 85986
ase/gui/po/es/LC_MESSAGES/ag.mo sha256=JjafvMtvaWVm7-XDyWnq4HqTVrS0M5vaOs1YhhcHjnY 26105
ase/gui/po/es/LC_MESSAGES/ag.po sha256=7QRWdTWMgsVso-wX1jXmabijW-qZlJ8BdsiKpHtsZA4 89734
ase/gui/po/eu/LC_MESSAGES/ag.mo sha256=lK-trDVX-7zVKR-oGOKR12KH2k2HHiGdaRl5UogRig0 25411
ase/gui/po/eu/LC_MESSAGES/ag.po sha256=SaFjjn3L-uHJfpnGkGN15pM2ODkOrQdM2M3uMW-4zr4 39784
ase/gui/po/fi/LC_MESSAGES/ag.mo sha256=SorOaOgLg-MJoMdzna5a8WNMtCyfBWNLo738nzwJYtA 22904
ase/gui/po/fi/LC_MESSAGES/ag.po sha256=vdxfmAU92GahqvdTcfqowi64cMiXASzP4TlGOkPWynQ 32752
ase/gui/po/fr/LC_MESSAGES/ag.mo sha256=iUhtLPZWg1eaUohrTKGMGKoDkTJZTL47UE3NxYRyVJw 30059
ase/gui/po/fr/LC_MESSAGES/ag.po sha256=QMWaYSB1JOdrT5wIHqYRtiKwgc01ElZ4rtmCUgRyEe8 39974
ase/gui/po/gl/LC_MESSAGES/ag.mo sha256=Z9W5aReROqOR1fCRONCl-wIf4VLPFPYrcu_F03FOaOc 26818
ase/gui/po/gl/LC_MESSAGES/ag.po sha256=qkcbXm_aKGBbe2XM2mdlXfi33TKjibdNufPUkcQgEmk 64313
ase/gui/po/ru/LC_MESSAGES/ag.mo sha256=JJkDw2lWfw7OmIb6CFm5gz_ZG24prrSYRh89l1CRQ9g 33742
ase/gui/po/ru/LC_MESSAGES/ag.po sha256=tohlcSFc375rHy97hzqB6bL4qYC-1HN4Tl4J5k5Buoc 43387
ase/gui/po/sv/LC_MESSAGES/ag.mo sha256=DzjNm-nFnzthYGuou2M83y_aMSHUKw1AOxTG96aP0yg 24912
ase/gui/po/sv/LC_MESSAGES/ag.po sha256=k5gChkLASXxTNZTLutaEhuO0iXIZBfRLE4lvzbqvI4U 33707
ase/gui/po/zh_CN/LC_MESSAGES/ag.mo sha256=wK5cBPuI2gbaWyKu9sWotBI5l8LW80_gtRWC2tU2PPU 24126
ase/gui/po/zh_CN/LC_MESSAGES/ag.po sha256=C_EvVl57ABAmYw4BUcRd0fyfDj1fz4V_ag3NxRvWMA0 80442
ase/io/__init__.py sha256=YQDwiGVGuH59KcfvOo1w1uJvm-5fnkGSeZAMoWrnSDc 442
ase/io/abinit.py sha256=DE-DOgVPmPh6fRUCsE0Ykdg5oy1n0mJ_INDMxSbtAe0 24130
ase/io/acemolecule.py sha256=cvmTr9Y3fJMK9IBXjOtsLrLrykKLCsB_CZbhMteg644 3963
ase/io/aff.py sha256=dAyghxO2txrRFuDRioyOk6ZXRtyaU1GbBvbN_I2uP28 240
ase/io/aims.py sha256=1W0zaCiQutweh1PPnGvdAiHyZbhebPtoICr0-ChylIQ 57028
ase/io/amber.py sha256=qHXuEmYhairidOIo5G-1jYr934cKet3gUSl3KCxJo4M 4606
ase/io/animation.py sha256=RIUtz0Xd--cb9zQ6M9Dy85zYQnBef-yJPgqu6CNPZsA 730
ase/io/bader.py sha256=FxSOcYAG36QWzSTewES60RxlG5HkC_6aWUGM7ocFLKI 2023
ase/io/bundlemanipulate.py sha256=9WxO9wb9cg2mZJtWLKDpztTzAjTdRk6QFx7b-KVEgok 7565
ase/io/bundletrajectory.py sha256=PdzsuEEFLwyMoj-y5asYFWqtcN-qTDEzX5nG2J_OOKE 39205
ase/io/bytes.py sha256=Qmd6nKHrwURwnlAQd4fY0NfXdhtQqmsT7vGK_rApe58 777
ase/io/cfg.py sha256=N7CpWG4DrQIEO9gyZTX2k9Bko6j7i7USAbSPfVB8za8 8398
ase/io/cif.py sha256=dQzho1N_F5hHL8rK2P6jy4K3C3LC88wlRM1ZcFSmLX0 30088
ase/io/cif_unicode.py sha256=ULDLFSRfytnaz8zJJuOZ7fyGL0HD_5uz_omAuqyK50Y 13663
ase/io/cjson.py sha256=uxsf9c5YQHx78qlfS7ZcvoodiFTyIbBNp0lcxXFUHSE 1277
ase/io/cmdft.py sha256=nBawXbihZ5uWUJToGlTnz0j2ULSciniQjG-SvGwQynE 499
ase/io/cp2k.py sha256=1lpp8he9xwVBg3VH4vWQSPqCw_PuJ8mmGsBi1n9fLLY 10692
ase/io/crystal.py sha256=7wCZyDH8VoBlaiIR14FAPz6m871wTPQoephYae0fCyo 3334
ase/io/cube.py sha256=kCckC3JC_m8sl1TTQNwgzqyLkQR7gyKho3I5SFGpLkI 7354
ase/io/dacapo.py sha256=k0dCD3izYdF79QZ5sz1stoPnneL4CSOwb7So3lfR6SA 1444
ase/io/db.py sha256=sq0Uf0Cc9UjSNj43tbwoLF16fB5Xlg7XyQezLz92Xjo 1060
ase/io/dftb.py sha256=Sq41dVsGBr6RJMiEEQHew7dBCelN--vlaXk8RuQaOv8 6479
ase/io/dlp4.py sha256=aomTBzXvZTfOk3HoRU7YBiEJL_TcWSIDdd3WkKua_O0 8502
ase/io/dmol.py sha256=YqDFJ55DL-zfaCoCEX-CGtpsp7yFFCcW2xDPHShIcuA 9430
ase/io/elk.py sha256=vDrfvk8Iq-9Uz5oePQSyY9JcW3N2i-TnCtO2VN9I-ZI 11935
ase/io/eon.py sha256=a8oA-NpmUL588eyQK0avcr1GAuGWN4noi0bvNih9LyM 10541
ase/io/eps.py sha256=su2BHfBJwnGgJh63iVZd8iy3NC5pi7jAe40QHKpQNbQ 3577
ase/io/espresso.py sha256=fFfuk9VXpM46XsngdOMoPgGZSosWXPGP_vFlcJJ5HQA 75268
ase/io/exciting.py sha256=uhGncTBycA6tgGnnfKDpKABPR267m0Y9k_5aU6kcie8 4176
ase/io/extxyz.py sha256=j3xCuXEyCiqZPsHuamIoFBKEeIsM_tfDea7zX37KqP0 35815
ase/io/findsym.py sha256=kDkd4AgJb2x5k77VlfijQvRVgLIfeYJkl_K12sJJshA 985
ase/io/formats.py sha256=LXZmrIuX8nUjifs96s82ZjoRsog22dommGY1SzaYo-8 33690
ase/io/gamess_us.py sha256=OD4pwfIpYBTWDxeBMIdPWMNqy9uwHuE5x50XY40ByDE 8658
ase/io/gaussian.py sha256=ltW5_UO3P119JDBJWjcZmvYuNoVqyCUhXHfYQ8-sv-c 53703
ase/io/gen.py sha256=-7QneTQww8Yo7ymXskYIelfeUBF_8bHMERH6EjanDcs 4608
ase/io/gpaw_out.py sha256=BD1T9llfKl35JD37bps65WBPsZDQFsuz9MUSki2xFXk 8838
ase/io/gpumd.py sha256=45hFetKbHnYR9bV5ory4xs5lXcjpY1ctxHreLWuPM38 10505
ase/io/gpw.py sha256=ZRElbzh87-7LFXmG6L5dJLtuXVxsH15xzWRG2oYkbik 3287
ase/io/gromacs.py sha256=BYMbeeTdzZauf5hgXZyNlGcnb7YzySfcQLloRjlhU-E 7007
ase/io/gromos.py sha256=avtFFuKl5sBQ3qB8t-XTTe1m22LLghPopcnJiWmQYrU 3864
ase/io/jsonio.py sha256=lw6Vrx6iXA1QdEcemOosxtLLtvp79VS_34cexofl27Y 5450
ase/io/jsv.py sha256=KoQPBaXBqXkZXs_2tfEvw4SVmPHQrD5sUaL79agjQng 4772
ase/io/lammpsdata.py sha256=m-Rw8jaqrXTJXS_CVXWExFoz0J0_bWKwtXGofmbbOyo 23553
ase/io/lammpsrun.py sha256=TsYJr_aOeRsfQzW4NT-wCPRsUpI6mxoy6ws-P5lD9yY 16836
ase/io/magres.py sha256=A7vwpFOEcBy6VDY8cV_HtuoT1wG2NWMuWxBT-W3rRws 20588
ase/io/mol.py sha256=2-5AnYajHmzyVDb6EXz0vSer_T_rFFhZ6-qDKXaNPPc 158
ase/io/mustem.py sha256=osf88gQKHJM_BsvM3NN__AsQVbv2F-ZSa82xKE5nDB8 9780
ase/io/netcdftrajectory.py sha256=nRggGh-4W3bb1fsDrnN9iOdHYfpVZ-9EyaclMjHf-3s 25712
ase/io/nomad_json.py sha256=rA4N0KAHEIxEO8amFyW4yhQ4BHfhKXCd0jyYH8q0Uew 334
ase/io/onetep.py sha256=jSbR1ose9ZozkLQksNNONmQDfqDHSMTPb4ApgfaoMbw 37304
ase/io/opls.py sha256=cPpRl7ueIbP-cYZpYsBzqif3omajWrA4Pd-kvrw46ZQ 26645
ase/io/orca.py sha256=QzfJ6FxOZwoQQGaojk5S82zuz4LfOJ4UYCwD4nV4TRw 5253
ase/io/pickletrajectory.py sha256=w0pNDlYJqoJyzN3GEL8aDlvPmAizM3zeaoAwswbXjSI 15507
ase/io/png.py sha256=BbS6K8IBs6SihdTt7TdZmWgZqYnY4h_jvdZiaodrJNo 901
ase/io/pov.py sha256=mz0D-JiCTKWXxh_araixobTloSZzOXjJfhVkYZwUxxU 33138
ase/io/prismatic.py sha256=ehSVL7Fl-8l6TniQtIun5u_ilmf6Ifbeju-fX2R8bcg 6158
ase/io/proteindatabank.py sha256=VIFYrbvEC6lFb0TP_xKN6MOOf4qBDqcTjgnM3KtO_Us 8276
ase/io/py.py sha256=zDlr_19mWuiXc33xUAS5tLJ4w8dP6t8eL0iF_L4arSo 1232
ase/io/qbox.py sha256=i4xY6BO5F48cYHpA8MonwrK8uHj81ttXxdcDiTqQn4g 6779
ase/io/res.py sha256=8lDt1sz2zbuzKT5ZwHHtF14wVcUqSX0peit94Zz9j6s 10234
ase/io/rmc6f.py sha256=rRGBZABwEKVsHFsIJlVrScIW4iezZsF10y_n8cp99Us 15605
ase/io/sdf.py sha256=HLIE4DBkUKnFNvSwR-mFOdP8OEis2RmRqelZroI42Z8 1179
ase/io/siesta.py sha256=yIBbDNVXmlyA-nTpQ0Kwf-878cghmzjUlf-7qdW_lLQ 7511
ase/io/siesta_input.py sha256=LitFMO1u3zmsrLG2dZPkF-tNRGV_PmH5BGMhE70JQOY 4745
ase/io/siesta_output.py sha256=FScXtmaQqUKo7Wb7WwHhZovV8ECig-OGgg4HtppI3Kg 7100
ase/io/sys.py sha256=vhprdPe_zo1TaRXOkFJTo5WtD1OmrncfS4x47SMEGfY 2137
ase/io/trajectory.py sha256=dH9KKYRaOlLHtbo_5QJaTS5I7j364w3jOsd5t5I0Zfc 17086
ase/io/turbomole.py sha256=2DbFf-XYyDl-VcL5k83W-DlOHPK8ZZy9OBS12t7rBBA 5885
ase/io/ulm.py sha256=6ITyfy8KGTv5s93q0mCNSmZ1nkCtvVRPkwpOia6imK8 19978
ase/io/utils.py sha256=Ysa6ctltrSoXapq1bTLAF-WlGIHaUoV1iYI_D-veUSs 10852
ase/io/v_sim.py sha256=EsBMXFwOMazNNXkT7MFlhrH3CkYBkfC3epoes2PUNtM 4251
ase/io/vasp.py sha256=a6WR3AvfXED0h4-vULY_zS_dmsfXoeS85DmlKTb7O9s 32574
ase/io/vtkxml.py sha256=IsiGzpS-ddDMYWO4JcMLjD0lrNNYh4Ap-bqz8RQk3i8 4174
ase/io/wannier90.py sha256=CMYhgLFMU4bNdsJUr4HUmI7SKxhcW9vcn1EvzUujOow 2166
ase/io/wien2k.py sha256=ViTSxF-5GsgGsH-BQIcj56vDal8_Klmxy_H2d0Rp1c8 6068
ase/io/x3d.py sha256=GHC8s00-RDavaQOJ4eYt9cKIGbc7ta7RVTt_tIef6AE 8113
ase/io/xsd.py sha256=DcrC6p14cbOPtNkRK3elRfXUPqKQ37RCfXWZY9fSu1c 14754
ase/io/xsf.py sha256=jdk9SjumPgQvMqXP3r6usPZp-veSkeFRvHJzZuSODdY 8620
ase/io/xtd.py sha256=FLBe4FAQy6quHaLRc8RzQHAWr5FEgsKFoNYlGFJSlMU 5812
ase/io/xyz.py sha256=QMMo39fQb4PNkzJ5_Cq5N6DC0YiJ1dgeMR-BdBuWuPA 1668
ase/io/zmatrix.py sha256=8YLMu7XJeVzEE56CJyqk_I7VXJo9DUm6QjSvNKzfULc 9170
ase/io/castep/__init__.py sha256=gZaLYZaKq4toDWOh9ZVh2BfpZWAF3XSvhl1PSLXpPlA 47490
ase/io/castep/castep_input_file.py sha256=IxvxxmpjlFpZISsqCxmahLFx-inOlhZYwQqzJF2a1pA 17996
ase/io/castep/castep_reader.py sha256=yAcVCD291rkd347npNme4XUiy-um9Hi9WulTrcnP_8k 22024
ase/io/espresso_namelist/__init__.py sha256=ibvRzoflUYcSzVvtImAB4Cm45ndaxPxe0V9TTfcBVbM 61
ase/io/espresso_namelist/keys.py sha256=cGQYw1_2F64CgWAftK66zKb_Ci2n9-_UBrw74ypjlTQ 29313
ase/io/espresso_namelist/namelist.py sha256=d7T7G7PfkfZrT7xKU6cL1fUeTMQui8YTkW5hZLwO3kk 4747
ase/io/nwchem/__init__.py sha256=99U2dT508OwDcL68yPSmWId1cV3btUdBxzCTwVerP8s 184
ase/io/nwchem/nwreader.py sha256=P-IonZbwsBOG-rjao0198gBeZB_4ZUQ-gOBV1Fn227c 23216
ase/io/nwchem/nwreader_in.py sha256=b9a_eHwxLWYpRL2gxxsama22mhGlNtJHmsLHx-dAAd8 4504
ase/io/nwchem/nwwriter.py sha256=JbwDDEF7iZAQ44LdfynsuEFY4BimpvfqstnvhrrLgiY 19612
ase/io/nwchem/parser.py sha256=5thoS3grnlvhj5u9xHTZA3k6r2QbBw42JWepodrvPs8 255
ase/io/octopus/__init__.py sha256=Y4diV8QDNfYqAO1x_dFFhepomOFNWUZ2lngwbuumBjk 1694
ase/io/octopus/input.py sha256=xJppq_OYnmz6advxZEiAuGySMfITzaghV9Boil25DMo 19882
ase/io/octopus/output.py sha256=AF1gqjYqdZSYiHVBvQ_dAyGlJFQI1pDQiF2EqmbJjLA 7258
ase/io/vasp_parsers/__init__.py sha256=FcVO2xHngIumj2_YUBkhUqWG2VvQmGrYO5S31Pt2zgo 71
ase/io/vasp_parsers/incar_writer.py sha256=b2L1j8hD5tGXbGtvqV9XN_qmCGAr5zIcru-L6S1DLDU 1276
ase/io/vasp_parsers/vasp_outcar_parsers.py sha256=QHmpNpn6nxrTnI4YJt-GsmzBb3UGu6h5xAU1AsdoBKQ 29544
ase/lattice/__init__.py sha256=9WY7A7LSiuOZmOzTPZTmCDFXJWzcQWJQeqYVUO16Q2Q 50091
ase/lattice/bravais.py sha256=fss6eUjufMc_PXo51h8jBX-vje8BuHECgU4ghGk0tE8 19408
ase/lattice/compounds.py sha256=02T9ky2kFWQ4U3YzZThYJoGz54cW1QKLlHJnpIKhBUs 6939
ase/lattice/cubic.py sha256=sIEanLpmfWQctvZ3b8z0Lf15G8jz0_WMG6tjbHYd9AM 4459
ase/lattice/hexagonal.py sha256=er0TXTfiWx56ZFZVpDhoiirWuWvHAOF0a9pis6Sdu9k 4176
ase/lattice/monoclinic.py sha256=jARhMxqHHE0eXKyWbwb0XMFkGjE8xvrXJEeBNwVPz3o 1661
ase/lattice/orthorhombic.py sha256=hIXrabDw3KuBZyEI2SuV4mnngfEWubYpLUO-4lags2I 5487
ase/lattice/tetragonal.py sha256=zuCyxW_R9cgY1VkZ3s6djalJGpWNr2M10QRj6PnxlmI 1419
ase/lattice/triclinic.py sha256=EriQeFb0tukESr953fn__p3tS-1QJuhWHrXardDyG1M 3297
ase/md/__init__.py sha256=oyvpgHNQkFgY-MjUcWXmDrLtPlFG9YjK9IjDbxMP1X8 283
ase/md/analysis.py sha256=TzgAuYEfIDNZBwdgo8gIiNSwrsZTcu31LdEjKv28i0M 15476
ase/md/andersen.py sha256=RO8H6m76DYeRh50ji1KUKmixrbqf5j4KeOIiQgxIClU 6173
ase/md/bussi.py sha256=gIKir7vebrgQrTkTvF5iqXUzUoXcPdy9pvA9nu1lG1Q 3030
ase/md/contour_exploration.py sha256=S8vZsl-qnVWXfkFbvnCw2u5H56oKVZFiuHxqrYlmWjE 18708
ase/md/fix.py sha256=rz7XzcspPgrM340yKEJmP44LRnu4nOpiBWxGwNqO3NM 1227
ase/md/langevin.py sha256=Rk2AiQzFOQZ1elDOSj-UC0pkFnBNM_0EwvbpIN9ncdY 7446
ase/md/logger.py sha256=rshF9CrahAWVsXdo_ETK-DsURfL6NtTO7MURb2iCGI4 3174
ase/md/md.py sha256=wur_pu3_-tGtAFRAg0AwIfKtWLjXnobnfHRpc3viMK8 6178
ase/md/nose_hoover_chain.py sha256=qoOBmuy-X2yKpUBUbFN14qciXlygZN_d_6kG6KSLxAA 7552
ase/md/npt.py sha256=ycXAHX643GdA7JoYX1U_JUMNu4T-T3kcPv3Gxk9_uRY 27857
ase/md/nptberendsen.py sha256=ty_LVFiePBXrWWv4vlfR6_JFctDspKJ0wkQIA7HuT-4 9933
ase/md/nvtberendsen.py sha256=aCVba4IsyaT85wuKrZBejanX2__DgxpqZHxbMAGo0Do 4993
ase/md/switch_langevin.py sha256=0b3SYBRrHDHEgsXKzK49o_PT0VxO_6Bmcj_DD7Vyoxc 3986
ase/md/velocitydistribution.py sha256=ctWxe2ubvaKAg6C53E46EximHbrlJP2y8Ur1SUgp_ZE 13723
ase/md/verlet.py sha256=GMflrgTu2l8KQNp55o70g7LkEEB9wLhaENSGiar_RHQ 1199
ase/mep/__init__.py sha256=heR8v6rCIhfYKBxghnx7SO9mw5iSRDQQwMt0bT8EKh0 507
ase/mep/autoneb.py sha256=Ppbm_M0JWrX_f0PImVpnKrw70U-jaHhZww0nGs439uk 25072
ase/mep/dimer.py sha256=2VStsEIfO-oE4UNAJrbdxBmIIDye3HlWxdXRwU7MkAk 45466
ase/mep/dyneb.py sha256=0P62ySqMAcVUb4F-leGMv5t1FEHIbs_gddLmbCcJCdU 153
ase/mep/neb.py sha256=NLPZsACW1fOQWSMZxAqcTN7B9MU0_nqEWJfnoSOHFzc 47408
ase/optimize/__init__.py sha256=36jlLVwAQcYSeeP_yn2RzDVQkw7R2HsCzZKSooMZjro 758
ase/optimize/basin.py sha256=ALW_GXqQfa0bb-cbrxCKkm29xPCSF9iilVg5tjaN3eI 5153
ase/optimize/bfgs.py sha256=4f-BKNsR-oD3wtQxGsLm0Jx9H2j1_G-HoavnAnOdtbM 6476
ase/optimize/bfgslinesearch.py sha256=7RC0WVWls6QDi_AgleWXlBL2CInejrolXogE3LD40co 7975
ase/optimize/cellawarebfgs.py sha256=oyoah_By3FENlIhczfek0SnmGyIVzamHodCCNuyf13k 5458
ase/optimize/climbfixinternals.py sha256=V9ikGGRKSMlI85SJXzSmL0u13y0cH5S7QtiJlLKDc4E 8730
ase/optimize/fire.py sha256=E2PgWN7ON6QP3ooIoJD7FmZ5yEg1nh7EhppOOoL1GLs 7118
ase/optimize/fire2.py sha256=fRRdShP_PeGrw-zoe46T9Rq45X4zJPnu3onyWN1OiH0 7131
ase/optimize/lbfgs.py sha256=4on5HmWhLhhpBvd6R8lIAPm9TM61ivwcZSpgXx_vUro 11137
ase/optimize/mdmin.py sha256=2wsA1qoFBM8eeF_yktD8LVB9cJbLfOrJ_Wfp2g0L980 2768
ase/optimize/minimahopping.py sha256=PECxZLvWPQjmTQd7DAm7tTh9mL-RvTC8TZIx6_BfI3U 29488
ase/optimize/ode.py sha256=nZxIekzkzGRJLqZk4eZ_8rvJixIndliEtv2wADKF8xM 7282
ase/optimize/oldqn.py sha256=4Twnvo6CSv3yNdh2xT1_Tc8nv3PCDGe4t9rk7eT-UC4 12678
ase/optimize/optimize.py sha256=TrTMLCnXNmI8i86MeX8PBEZtaGarhsNZr044JoC4u_0 14823
ase/optimize/sciopt.py sha256=zZoujvUuh0anbL-vdVS-y7mZOeruy5Tt0fMYRuN133Q 10962
ase/optimize/gpmin/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/optimize/gpmin/gp.py sha256=52nZvdeK33FMHVkxPD5gONw762aILRiusamGop8y6Kg 7108
ase/optimize/gpmin/gpmin.py sha256=xDpU3NhTYViE6MJE4QlpRExKgMrZVjrYLId-5KUe1Hk 10898
ase/optimize/gpmin/kernel.py sha256=RZwqy6_EdQf8a4g-JDGpjIvn7fCF8AbjNQv0XbPZIKQ 7293
ase/optimize/gpmin/prior.py sha256=w7GfUDBWKMl4uS5xlgiCSBBZgYZjLQjnn06iTZ8J_Vg 2297
ase/optimize/precon/__init__.py sha256=Etzw944N5RsvecauG7oNimregcwRlnlbyuBXaafsmHs 1697
ase/optimize/precon/fire.py sha256=kM_zVdYfxav9WGciL2ujBIGCxjBWbUb1zc51eORDrmQ 6995
ase/optimize/precon/lbfgs.py sha256=T4UDfrxtmTcwRHVW1-pASc37NuFazF9eLqPakz1UGW8 15718
ase/optimize/precon/neighbors.py sha256=DNtDoNEzYqoD4IcFwawwCWzsVBuogEbxQouGX2EU2vg 3869
ase/optimize/precon/precon.py sha256=qCd14y5oakJOdFSGpmUcYIheFWxgaMHYU2HjanF9ADE 51564
ase/optimize/test/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/optimize/test/analyze.py sha256=5XWHdls1gPF7w3fx5Hcat8vErCyNNy1cSRf6W9h3Edc 2006
ase/optimize/test/generate_rst.py sha256=f__Lwyj9yKz5RL9n9dG_ZTX1IFGmU3ixizLe1nyktUw 1783
ase/optimize/test/neb.py sha256=gpVLMbN4I-QTzw90QLJQkeC_K3kUIZVVUwFUIqnHmy0 1255
ase/optimize/test/systems.py sha256=k_rr2zSNHwb7zQMTO6MLQF7E9c7kXwCcnHsO4pLTjBA 3868
ase/optimize/test/test.py sha256=tfQcRu65d7--ecYuvhhbtKcnpwCusBpZk74Q_Epoe1A 5579
ase/spacegroup/__init__.py sha256=ineKfYW_-QYIEBd6JKt55N7amEwYYX-4hHlFU9ZqN5c 406
ase/spacegroup/crystal_data.py sha256=EIwuYZ8uf4eoOwCA8oE0Qno8JCEJQKjlc0TidQeuUUI 2823
ase/spacegroup/spacegroup.dat sha256=itOnH2V4OPUv9O8CASwsxlAtgtZh6jYc5fLuIGJpf-w 204447
ase/spacegroup/spacegroup.py sha256=aYM-89oYgNfMKI3FeHmxCjQ2V72N6R-b9PgAdsZQP5E 33910
ase/spacegroup/symmetrize.py sha256=klwx1YfAhCl0TFyYHxa6A1P7laVnQkEBXqMr5GW7CBc 9175
ase/spacegroup/utils.py sha256=tZ1hjB_jDBMRm83nUC7TcT1E58k2GBqvlGL5hpT3KYc 6775
ase/spacegroup/xtal.py sha256=aIkNYKvz_SMaE5xARrHa7fOWTIvIKUPW0e1DKrVABzU 7876
ase/spectrum/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/spectrum/band_structure.py sha256=l6XzGJipnbLGQr2j44n0l9qbSqa8O7_mSS6YkcPGOHk 15384
ase/spectrum/doscollection.py sha256=rFguFrJDeNLY_Gjb_CkM9PzgKJw9zfUmEql1INaf69U 22319
ase/spectrum/dosdata.py sha256=o4Z-jI39OeOtJvG6ydv5BbMiAul4Jru89XhO_HiuYgE 18887
ase/test/__init__.py sha256=hGrnFPRfBAhr9Dc1YbG51K5FXpxMQ8dYaK7Qnwd9GXQ 82
ase/test/conftest.py sha256=69FxnFySAl0V1obX4n380P3vgeG42wYjdKOdsN-WJ54 14432
ase/test/factories.py sha256=Jx3DEnonzkF68CdmPFsLFvGLuIvUtRi18c9Yy-c45yg 21759
ase/test/pytest.ini sha256=XllmrMgeP_-wcLorGr-oxaOTTBU2lBzFs4cFxt_o0MQ 970
ase/test/test_bader.py sha256=AM_WMKFMMjdxx92Mv6O6S7sBZ5dmif305NnDPVSjmzU 961
ase/test/test_bandpath_kpts_axis.py sha256=dQHQLwpX6kUO26wSYFqoFs6lOAZfGBibzJxGeU6oHQA 571
ase/test/test_basin.py sha256=78m5IYLNxiDq-AxCSV1rO-DDx82Ln5cUzTVi9lljSrk 1711
ase/test/test_calc_outputs_big.py sha256=AGzohDa5dp-TGhP6ELcKWwnF61hGvWMdY6FZD7hk0ag 3210
ase/test/test_calc_properties.py sha256=lLcDDW1AUtRd_m46KPNUeV0vgqCFOwOJ4UDlRQGBW4Y 2314
ase/test/test_calculator_equal.py sha256=WtWQzEaw6pLy6ts-xhZIJ5h6YB7DUlXZgFca3ToYnOg 2137
ase/test/test_calculator_label.py sha256=3yRaCqqlpvVVAKekYbLIaiDQjneA8X_Nyl2oAD4Gupk 702
ase/test/test_checkpoint.py sha256=gUllUHkUsFtH1VPCgmhkQfs_s4TUCBYp1n4MImq213A 1783
ase/test/test_cluster.py sha256=2zCWfbw4_ZzlWBDOC7IRKKHRWjz5d3eun45m5H3opBU 3044
ase/test/test_cutoffs.py sha256=QnQZR6kCjCsr1d5xWL0ROmMw8n50MAhAbO9s2X-o2UE 477
ase/test/test_dependency_list.py sha256=8TfJPZCAIfJNsFrpnY5CDmLx2zij6M1UD9i53XmL6AY 661
ase/test/test_diffusion_coefficient.py sha256=wwEESYb_naiWoiAD9lrJpdvis7FKFweCrG4z315bJtY 1649
ase/test/test_dimer.py sha256=60eupqpllOq25Lb8zczQ6kt9DDHp5JHWU5qUTJmgpjc 638
ase/test/test_dimer_method.py sha256=O6TxDC3q_hpQoDPRXpXw57v3T7kBAYL50_XLN-uKUhM 1535
ase/test/test_distmom.py sha256=W1ZftwOKUdykCm8gc9E4ok8zdRv7r0X31EDZ0lsueoQ 753
ase/test/test_doctests.py sha256=2_1SGMXFD1ArecKJEbtWxHBmtwEtCvRFWuPcbG1mfsg 768
ase/test/test_dos.py sha256=ht7yGuzdohMciFS3CepIBAzxF9ClDCbss1KxzSNP4cs 1420
ase/test/test_eos.py sha256=XuhxW5axNrbAh4uPDUqn-81BD5amkKf2qLYKcyW19HQ 981
ase/test/test_example.py sha256=y0K9LJNo5ja-aaevpnru9JVxjFt4pVokYLgJUSO8c-g 960
ase/test/test_external_viewer.py sha256=gsywPkOk_i6px65FD6K5oYcwAXZmrONpkXNwSy-neGI 3031
ase/test/test_filecache.py sha256=xUXrA1PhEeTbRQagMdr9ilD1KCfySQuK8ZIHAepHlvY 2369
ase/test/test_forcecurve.py sha256=d4IRZ8aTCI3Dd4t71-u4Nf3QsPO7AubsFa-Bot_zPEM 561
ase/test/test_formula.py sha256=i_Umh5On5oc9CjrVuVxQ0D_xUpcA1XGItH8OYZby8AE 2475
ase/test/test_grid_slice.py sha256=Xrp4u3UzvZI9O_VBeq1im_aPjSiM4wDtelR0C6dd88M 1152
ase/test/test_gromacs.py sha256=IRdR1TIoSY2FuaaKsD-3ET8H6PwK-M0JoaujKZQwBsk 2000
ase/test/test_hcp.py sha256=bojgcfiLy18UQXYdH0pJpBaR33VUXV9reY1ytidklNo 2155
ase/test/test_imports.py sha256=owGE-w6vm5ZXInHMo2C158UbmM_eQUBWnnRkMJ7sPXA 2248
ase/test/test_isotopes.py sha256=rhIMVWlOGE1w9cpH8IdT7kHJJHlScWW2SqpMDU7AzEQ 1530
ase/test/test_issue276.py sha256=qlSwKdqVdDxuD5VjAcr_3UHUkFdXICuOz5E47VLgXPI 526
ase/test/test_kpts.py sha256=HPgC6WSbaqGMUyj3Csz0P_vbCr3gLmaxfiyRsvpjwkU 119
ase/test/test_kpts2kpts.py sha256=DtOqjLzOYBtZxu7jcyfs2Noy4jqB6mPHmzijldPZzqU 1099
ase/test/test_lattice_lindep.py sha256=W-c0nbOtCU1u-AHR6V5VuuBSYsJPrEiOce3vKE5QMmw 2427
ase/test/test_linesearch_maxstep.py sha256=WL_79CMD-SQmWtAis8_WEC3KcVkPXsOC8I9bEoHnn-4 2091
ase/test/test_lock.py sha256=AuFoWDDrTnbU7zgKHQvlr3JjsGznBjDj43jRsvAkgqo 687
ase/test/test_loggingcalc.py sha256=6TgXLN453UWpKKNIY9EJjPeMdHDNj491P96nLIMXPQg 551
ase/test/test_makebandpath.py sha256=MqppRxtT1DcCllIl0wuIYcfKvp4zIQ-fEdulNCdwFK4 452
ase/test/test_matplotlib_plot.py sha256=ccJQU34cUe4hOGT1KOvCwGSOpr0gjK-fGeeXpt3haK0 1621
ase/test/test_minimum_image_convention.py sha256=vvuHswgHIWaxjIHiOfSvJwmx503X_vIl6uUaCWXAIOA 2176
ase/test/test_mixingcalc.py sha256=9TqDyL1Gtrp6W6RiDWSq6KPJFebnXQnavllIReh0Ocg 2898
ase/test/test_mpi.py sha256=jaRA57xqTFwZzV6yVpwnZGF9ZJz__KpzxHF93J1Qztg 937
ase/test/test_noncollinear.py sha256=gPe6H8qf8TZ06fOgLLO-4id5_n6aW_5KfJbNKPRvoeM 685
ase/test/test_nwchem_writer.py sha256=wVkmk0gL2_J0IllmM7Z9hdEVRk_Pt088GrDMQC-NXGw 3035
ase/test/test_parsemath.py sha256=pFk_v3ohBvJQT1LnSNm01XXBespnasMOYWyKf4p6Fv4 3615
ase/test/test_pathlib_support.py sha256=93TOZzBxCE1RUiTLzV0EjVQUP252mtbzZ3a1AE64hvg 1902
ase/test/test_phasediagram.py sha256=sw64UDXovVwB0tkfCPBizGtofnSoIdLOJM6pKneov0c 3778
ase/test/test_phonons.py sha256=Hy25pzt5lPvUMw0OwYW5A35AtS4tJZbbuoAfwxGqz-U 9091
ase/test/test_potential_energies.py sha256=U8FIsDeZeiwUr0newg7v06ugiRTxJekxjahEttuz2ec 667
ase/test/test_pourbaix.py sha256=5g78MS_ukZtMSxvaTKfWFJZP_L1lJuIwObxI9crtXxE 4689
ase/test/test_properties.py sha256=6gB6VL4T4BcKBHaDX1_564PDZBQOxLI4JwvvU-lrM88 560
ase/test/test_ptable.py sha256=HmTNae59YZztiiRhnfyWksmjP6p4HtA9creorrYorg0 469
ase/test/test_pubchem.py sha256=lDKnhisIyZ__KoSd5gFcOKXL67q9VUDKvvm1n0M2U_s 1139
ase/test/test_quaternions.py sha256=Ku3Lt09luQpgbQ7JNFuJo0rHYlXrAGQg2zmjQsbCIMQ 5423
ase/test/test_root_surf.py sha256=gA44rc5ljBAdI_s7baZ5dhkm05xSHbGAwnAnbqve0LI 1148
ase/test/test_s22.py sha256=aF4wJdau6KS75M2hrzgpRaoP6NrUJOMEZLKAWx3JSDo 213
ase/test/test_singlepoint_dft_calc.py sha256=xKM4p8dvqxVqyNT6hEY0J3J3ECu6KA4O1XMhE8XEWAA 945
ase/test/test_singlepointcalc.py sha256=KmcxQ__fHmwYSkTenMSpbzBCvWlrq2lq7U0DXZ1r8tA 1500
ase/test/test_springcalc.py sha256=iJn7uxrae0SW1pZEfsyYrCikOq4jsKoESk2MtYwzVso 959
ase/test/test_stm.py sha256=c1jcHADNDUG7FmUN9zYC__NyVwml3z9eRjXB9awPocA 819
ase/test/test_stress.py sha256=AKSWBjaV4O8DIdK8p3RNB8pL2snPwjDxYCCOE1IVC_U 2247
ase/test/test_structure_comparator.py sha256=Umd9OZXn9wj_psaQ31ak3XxPgPYiaGAJsV79ounk0Kw 9985
ase/test/test_symbols.py sha256=f7LLHaJ3OXu5QbhGFr3pO8BgbnGPDD3snDq2FxVD39E 1997
ase/test/test_thermochemistry.py sha256=GrUOQVEDQnvsTSpdw2226k_ZcSmV29ucqeL6Hr89bJg 12847
ase/test/test_things.py sha256=pa5c4KONAA4XvVO7rGuFg2A_PGF5PZLDk42fFZq5DFI 626
ase/test/test_timing.py sha256=1JGSGKagEJ3XfzPqm_tEETDeuimue5S_rUYqpT7mLpM 475
ase/test/test_units.py sha256=j9Y8CU1ZTPES6KYngQVL-1lQ9msSq8Yiwo72dQ458G8 765
ase/test/test_util.py sha256=z7j_3svmxHX-nisQsx2EBhDLO4-Xn9ad45adlLvIIUs 5592
ase/test/test_versionnumber.py sha256=DPeUj4VrTXvmUXRynB9n9s697Nc47twLkD6NGHtZJG4 593
ase/test/test_x3d.py sha256=0IOEzal0m2sabWI24AdV3a-IEHJZimmRQ09mKxphbik 267
ase/test/test_xrdebye.py sha256=e_Isv2546LN6RqyIWLtWVnu51nKHvCnUpora1jZKQLg 1556
ase/test/test_xwopen.py sha256=tKeSfOGToMmNbwSr78JBddy5UawSXd7YO4F34cqdTUo 647
ase/test/test_zmatrix.py sha256=d_ACCbibj0H6OvrrxDS-y9sRfpVuKqihcqBtG_pI9b0 2275
ase/test/testsuite.py sha256=OKKyeA2PtRJRdFUPNAYzQUdSP8te8ii1tg-13n64-K8 6960
ase/test/utils.py sha256=NZQsPSjFM8A4Ddi_5fBAe7lTMNriWMjdKlF1tmkFYvo 313
ase/test/atoms/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/atoms/test_atom.py sha256=YMW1Jng5L2ggYtnX4v39emaimWKAzTP5-uX9F-Mnr2w 847
ase/test/atoms/test_atom_scaled_pos.py sha256=NyYrA6c9VriGVPCXOYRBLn-kHoVl1Qx5uOfOgtHemBc 1262
ase/test/atoms/test_atoms.py sha256=FImJz0ivwiuyiOC1lNaqSm3PgctLgyoJL2YZCLX07sQ 2678
ase/test/atoms/test_atoms_angle.py sha256=uvJj-V6QJeDKfsxl4h-lz3ub3H05C8IEud90L9JT6xo 1650
ase/test/atoms/test_atoms_distance.py sha256=uwydqrRUQ-3CEXSElmgf6HprmZS9qDU7DUq-Ujcpu1w 2332
ase/test/atoms/test_atoms_formula.py sha256=tXmBLsDI3IeXpBdXINeKaPdx-KfJvMohxSaWAi1MYcU 1385
ase/test/atoms/test_atoms_get_duplicates.py sha256=XO21_jA-Y4HYiPdxsW42HV9W20gj_csnMtaqPSXKjSk 901
ase/test/atoms/test_atoms_get_positions.py sha256=suVI0b0oiL1SQ7iYO5zCd6kYmxOjKdZeKf83FHrRPfM 569
ase/test/atoms/test_atoms_getitem.py sha256=YJ46_fX8_MGVqkQ3Pdh3mc6dlk8Y681g8R76q7zfNW0 1321
ase/test/atoms/test_atoms_indices.py sha256=pWGdLaS466RPleeCFJa3uB543INogv0a-NW6IvcSXWU 379
ase/test/atoms/test_atoms_info_copy.py sha256=RczhNdar8huG_FNw1DDsOZJG9BiiwcJuJ74IVytfOYs 257
ase/test/atoms/test_atoms_instantiation.py sha256=QEwh2ZNdgk9xSnmYatLUHOOWXmyK03oG_eME7qD_nxw 1373
ase/test/atoms/test_build.py sha256=f4BqVIpDwOArENAmTCqR0S_JjpqDwmKktJPSthpaUxg 616
ase/test/atoms/test_center.py sha256=0DPJHI_LFSSYxt_x15301PGBeptzZ9n19uPzp7z49J8 4713
ase/test/atoms/test_center_nonperiodic.py sha256=foK5cYxrm2D3IykuMqV8Bsz6DsfeJrlpzJFXh3LZyiI 756
ase/test/atoms/test_compare_atoms.py sha256=unH1iI-NCEk3mG4qeOqeLFpEBrUwSPYfSQY271l4AVQ 2103
ase/test/atoms/test_deprecated_get_set.py sha256=hWiPDK2iz3kSnh8euSc5XyWW59jI5zneGp2rxJTdVrA 642
ase/test/atoms/test_get_angles.py sha256=l5rIHUR0EvNOXzMyLjhjcpIIR3sa2Mg0lKXErECq5WU 412
ase/test/atoms/test_h2.py sha256=WUHgoD22raYToc9-IJR8xkv7NHf8YhlInRqA18d8404 334
ase/test/atoms/test_mic.py sha256=OLTKXuII0Ymy8Soqmd5xsxQUc_owm3wRMbg-dPwGlhg 5308
ase/test/atoms/test_momenta_velocities.py sha256=znYzS0mGi6CKcySCiM8kZnvhLy-iLd-2Ib-S8G6TFmE 1070
ase/test/atoms/test_permute_axes.py sha256=MsdnxhKh6yhZTKniRUXPiR9_AcIcW5axwbZTVYE__d8 1190
ase/test/atoms/test_rotate.py sha256=XoEXBF3-MTKkMRSPj4cvhebRZ-IIHw_A7Dln3BRkWRM 729
ase/test/atoms/test_rotate_euler.py sha256=aHDPdLcHPgPDa2BgLUA4ty_zHpxyIgbDYGVNg18vNM8 382
ase/test/atoms/test_scaled_positions.py sha256=NhegmOGuXrgza0n_6ohA1HbMAN3XeD5nuVO2R1-afME 153
ase/test/atoms/test_set_get_angle.py sha256=v6Y3H5eEt2shzShTeL6HIBx6W5Vek0eqsd2Lx9WGPPw 473
ase/test/bandstructure/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/bandstructure/test_bandpath.py sha256=uoA5oViF1KCVk0e_1IxS2PwQYvD74FVq5To2vZdqEUc 1920
ase/test/bandstructure/test_bandstructure.py sha256=ySFjFdxdSoykFe3ugUVhE35cq0kgt-CEgRPVLuQIMug 1303
ase/test/bandstructure/test_bandstructure_json.py sha256=yWcka8lFJWmlVAX8mAvqsFJmoFNLHvhIPRvnDKuz8yo 707
ase/test/bandstructure/test_bandstructure_many.py sha256=YS7HjJQtUJfzUrnvArb4MXSjhCcryOBO13GAFES1yDw 830
ase/test/bandstructure/test_bandstructure_transform_mcl.py sha256=Gm9fg0heViLWpA2bN9seVNQjhP_Z1_QFV8d4mb5ADgE 1485
ase/test/bandstructure/test_resolve_custom_kpoints.py sha256=T7v0quTNaDWWDrsnU5toYOIslQELwmHvNhkY-wRNBD0 1031
ase/test/bravais/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/bravais/test_2d_cell_pbc.py sha256=8qnKFkBs2YMxAtSNpyfqEqP2bHowNEoRDcciTPmWlwo 1766
ase/test/bravais/test_bravais_type_engine.py sha256=TI9Ay0cQW2wqcwp2Fked6uad7SwFHa9K7G7e6qy4soo 752
ase/test/bravais/test_eps.py sha256=ccuSbnP-E61YuRgW_iL9DN2aU5UuuFO0iAeDknaUB2o 1834
ase/test/bravais/test_hex.py sha256=OVdbuP2Hl8ezFO5BdSBI5iuspazDbD4IlcqD9xZMxnQ 438
ase/test/bravais/test_lattices.py sha256=0ZIPppMdhdA6nbkx1B40M5bqie5YYxji6tJPwdeLn2o 1403
ase/test/bravais/test_line_lattice.py sha256=8mTkXywFcV7WFaS6WoLn35kQ5nxZr8KYscnF_pvuysA 315
ase/test/bravais/test_main.py sha256=dR3YrcMoa2MBPE4B1KtjYoql8JzD9kGcd19Zgi8t8OU 3833
ase/test/bravais/test_orcc_mcl.py sha256=Y5VEVyUQLlbUe1QkKVpzrST8x8erMGAfy_FBuf4FGLc 1170
ase/test/bravais/test_reduce.py sha256=rwkMoKvu_ISEg4kSSo3ukxIx6oU9SuLNUUyu_y8raxw 1092
ase/test/bravais/test_standard_form.py sha256=0UwnEFqaDFURPL-hlH3k-yy3saaPRxmpsaYuC1Mcres 1203
ase/test/build_/__init__.py sha256=LE21KWY6zOq7PHYK2ctJFM0EoZXvuNk4UTAF6IA-s9M 99
ase/test/build_/test_attach.py sha256=wBC4p4Tc3UB2OIc1sMGD__BriIpFg6zXnePdEBwKgZY 2608
ase/test/build_/test_build_bulk.py sha256=WFP7zWHR2ZVb0z0IytlRXXBxNWCwH7Q3m3JXS5O281Y 2066
ase/test/build_/test_bulk.py sha256=SnmalQJPhpdY4lxN2pwTfY9jrmP7-3_9m_YT2JTStAw 3604
ase/test/build_/test_connected.py sha256=tn2BLIM3qP9CjNS1gfdWyjvwe3TMqhYJNCG0YQE9Yhw 1867
ase/test/build_/test_minimize_rotation_and_translation.py sha256=nZYNg3MRFok0kadXOdqJ2dqtfoTatZG-m5w3BcWz8m8 1226
ase/test/build_/test_supercells.py sha256=-DglUyAkBFAygWqW0Y5fIrJeqb_BsYk5WDryOztXnCg 6891
ase/test/build_/test_surface.py sha256=75i3NnZzSAs48pcvOhpo52PpxoDCPMqADP7axNv7_qs 2118
ase/test/build_/test_surface_stack.py sha256=sOkSRaYJSg1tQm1WXMRg_I9oXISj3oARrPOGWzIfTN0 1168
ase/test/build_/test_surface_terminations.py sha256=zw5DkRiGnTAoiN5OHf_mSJzu20xMIiBMs3YleRMNv4Y 1302
ase/test/calculator/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/calculator/conftest.py sha256=0Hn1YIADKo8pi-Spuy9bXDXz1N-kLIv6bckS_8l6Btg 927
ase/test/calculator/test_al.py sha256=UhVXsx7P_JdvoQo2zBeUg1zGMcXdDzffsBlHfCaFFjY 1212
ase/test/calculator/test_bond_polarizability.py sha256=NgieycyGa_6T7x65ky2o1AhqhLsqKJSiv0JjlisaqTE 1129
ase/test/calculator/test_calculator.py sha256=gk-76bQWdwKdUa15z7Jo4onJ4FJnp-RE7MNjIBYnWQg 2068
ase/test/calculator/test_ch4_energy.py sha256=hux2_zfVpSfSWs7ymn6yTxs5wgnoG7Y4onY8C2z7b1s 1389
ase/test/calculator/test_command.py sha256=uqx0-_fe81v-a2qlZ9i3Qs8jN-AVkPbt3BVOC3WIJ8g 9529
ase/test/calculator/test_dftd3.py sha256=A5Kj895NrpoHCaHudU8jy6gBlDyXOJQX1YjbxSAfinQ 7515
ase/test/calculator/test_eam.py sha256=6_3HnP6ZaKvGCZq6WxMvFA568rHvmTZQE3-VgiCKpAU 3265
ase/test/calculator/test_eam_run.py sha256=gk2U6ODdZt4TY78pfEdkwFhwBxDi6DOBVVWpFmtv2b8 1209
ase/test/calculator/test_fd.py sha256=1GN05R_ZRIpt1B_bBC1SQlaD84fKj7ubxUJBhfnDGKY 1054
ase/test/calculator/test_gulp.py sha256=H4c6WJ2l-YU4azr6FdBKMwipO-reiKdfxdcgI0UTgIE 2910
ase/test/calculator/test_gulp_opt.py sha256=9bvwS1Caxs0OFrZwCU3Ws_har8uG2aFbbRmM_JPVyZU 1315
ase/test/calculator/test_h2.py sha256=4qAbvyf2MWwLF-r88Fc1XBmiPNXSqsgz2ptCQeMh5dI 1147
ase/test/calculator/test_h2_bond_force.py sha256=P6QOuDaKhFwxKfMa3dS0a1ABKtIsRFmIvuBQXK71WZM 1636
ase/test/calculator/test_h2morse.py sha256=yxVWERcFJBGh8SIv9okzuzBrbb2B4g1I17WauBZFBrI 2732
ase/test/calculator/test_harmonic.py sha256=IXYFgIXrLZTeTheM6hm_Qi7v95aDmY-7hgqJeO_flyY 12585
ase/test/calculator/test_lj.py sha256=YjyXxcGXZCcj9P-PHlb0uXwn8d9Olt78i3WjApVgz1I 3634
ase/test/calculator/test_mopac.py sha256=Mw4xjkUK0yQQnaG8Yk2QQCNFLejL292EyYk9PG4XiDA 1943
ase/test/calculator/test_mopac_version.py sha256=F6a95g76cT71-JRE2Xrv1mp_LgSGUDTR8XYe6kq7fcc 1530
ase/test/calculator/test_morse.py sha256=Klktq75ECS7-OZyd_B5htv7Js1Y0apnbgYSkq3q53c8 1471
ase/test/calculator/test_orca.py sha256=eNjWRiZm3GDlK-9LYqo1gK6iK4mM9XsQnKuzbbkcrrI 2789
ase/test/calculator/test_orca_qmmm.py sha256=QzVRDgW8cprBrLfV2tLPrPQ7vlfJOHBIscNBL_Jn1Jo 700
ase/test/calculator/test_polarizability.py sha256=XLMC6pLhPW3L3eV-1SMBpr8uf7HvTkSI_m-t6qdZJkI 801
ase/test/calculator/test_si_stress.py sha256=kNTi6Iq8ySBktA_g8dFHeOcWzB9G_D71wtXGDvNixyg 1123
ase/test/calculator/test_subprocess_calculator.py sha256=IbgnooJobC75bbQoaawsRgKt_IhonxfXaUKTXrhFWXo 2753
ase/test/calculator/test_traj.py sha256=pJY55w_n2wqrrKOZGGYRkYbyH7HHm5lOd2Kl6MUWSsI 869
ase/test/calculator/test_ts09.py sha256=EvXnxCPr2iOMrSBvFqzjHZycRBqeJ0DPRHtz8dJCcgs 1946
ase/test/calculator/abinit/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/calculator/abinit/test_abinit_cmdline.py sha256=32FzqzofWqgwIaf7OCvgK3ld1i2qIKiADpUP7O93a3o 276
ase/test/calculator/abinit/test_main.py sha256=MmAt8WOomKIZ33EoUjAGi6ZZ8-Rtlm-UK-JWRpsXQMk 3375
ase/test/calculator/ace/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/calculator/ace/test_ace.py sha256=8_6NKMdh_ivG2ypcXDsmhLolpXBjnvfmOMEKyTnHZNE 311
ase/test/calculator/ace/test_ace_calculator.py sha256=c_XhClNWz0N8wJWTmcZTDjySVUujme30OaJ8avvxpDc 1678
ase/test/calculator/aims/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/calculator/aims/test_H2O_aims.py sha256=hNsZ56v-RS-18Or2dMC7sVLVtXzok6HhKOLK7qRs0lo 795
ase/test/calculator/aims/test_aims_interface.py sha256=sXB_DXBbg3IgG9Z9AhsXz7Zj8xiN6ihBGRfV6IcHyqY 3791
ase/test/calculator/aims/test_version.py sha256=0tdsQIN6z1_WvDQ5kanT84K8fHa07PQkMPkmm77L7fI 292
ase/test/calculator/amber/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/calculator/amber/test_amber.py sha256=CD-YIKUPZVYOH5G7fkjBo6VCgN5P9Gg-k6KtEtvqXr8 1914
ase/test/calculator/castep/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/calculator/castep/test_castep_interface.py sha256=Upxpn74_l6i5w5YxeGRJxhSWulKo4km1DSlL8dHs76s 11722
ase/test/calculator/cp2k/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/calculator/cp2k/test_cp2k_H2_None.py sha256=V7XKXSthEP43hQMPOh9t_oCLOjuB-v4KBHRmjlW7uQk 1378
ase/test/calculator/cp2k/test_cp2k_dcd.py sha256=q1ccaq4TeouKHNovICiqIxqeUXRDAqpo-7l9OqDxBK4 2202
ase/test/calculator/cp2k/test_cp2k_many.py sha256=1tP_-PJqp0xLoFwSOp2Z18b-uxOXbvulDN8aecbr0vk 5166
ase/test/calculator/cp2k/test_cp2k_restart.py sha256=DHRQZB62I7WPLvQ-BlzqoKRfIRMlJ9LIhN2t9bW8QgY 1141
ase/test/calculator/cp2k/test_cp2k_stress.py sha256=a3OoQ2Zi3qTrjUZPZ4VGjPz3cK0A7wehDiaVjs50Nvo 2944
ase/test/calculator/crystal/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/calculator/crystal/test_bulk.py sha256=_jI3icF_sq-Z4s5Z2y4XOPVKjf0NM6JiSR3T0sFk9KM 1127
ase/test/calculator/crystal/test_graphene.py sha256=lFzMD0isMGqOCFKuzuwKauxFscW-uVQ7GSCKy0dKLSY 1269
ase/test/calculator/crystal/test_molecule.py sha256=DAyLWGfJ1GIixF4cAyjnElxpb_NepSAocrrTEZQE5zk 1032
ase/test/calculator/demon/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/calculator/demon/test_h2o.py sha256=jnvQQvJwORjEzzZEpSFw4TYXEdCAo3lLh3w7i3egw0Y 2922
ase/test/calculator/demon/test_h2o_xas_xes.py sha256=0XaGockJntMg8yyFPrhXVtpNPa8Y2H--YfsxGN13lqE 4902
ase/test/calculator/demonnano/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/calculator/demonnano/test_h2o.py sha256=xZ8e8Ish5SQcCAMunz6q5dKPOY4wgvCZyTdcl5kYuDM 1788
ase/test/calculator/dftb/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/calculator/dftb/test_dftb_bandstructure.py sha256=oW6PETM-TDa7vMsaNco9S7XGktgskKGJLaAxdFD9LWw 1645
ase/test/calculator/dftb/test_dftb_relax_bulk.py sha256=0W8J0HbQbxBCup1xn8fs1v2VqglrbuwFXWmoGTPsmjU 641
ase/test/calculator/dftb/test_dftb_relax_dimer.py sha256=1cKnFTzsHGdORmmNLSPbtNVxpeUzK0r2CBQnrBoKNZI 653
ase/test/calculator/dftb/test_dftb_relax_surface.py sha256=yVBB7keSP2qcbBip4B7kJ6ceL6M6x_Uajr3e2pnn-X0 825
ase/test/calculator/dftb/test_dipole.py sha256=eaOmBoQbpr-A4oygxZwEfQsyoKE5YOZOGjMBwNszt_Y 337
ase/test/calculator/dftb/test_xtb_static.py sha256=jsu95WmsI9eWkxVHaOJ43LisiqDOhctKc9kWvQjKnLA 374
ase/test/calculator/dmol/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/calculator/dmol/test_Al_dmol.py sha256=71Vs3x0Ldw_7f_RQTR2W89NA7ooDNeWyTcIZO0B6c4g 220
ase/test/calculator/dmol/test_water_dmol.py sha256=j4gu71UahuDJa7zfylaRnIx1o-XHF1403fWADnOLTw0 232
ase/test/calculator/elk/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/calculator/elk/test_elk.py sha256=ckVqhibvNvBM_K2jdZLMhOgI48hAAZR9uyoylrXGVt4 1709
ase/test/calculator/espresso/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/calculator/espresso/test_espresso.py sha256=8xAKikk1F_NGZ3Cp4y-KopkBlwBXemwD-cOM-BTJxm4 2590
ase/test/calculator/exciting/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/calculator/exciting/conftest.py sha256=ZSZV83aalYwrmBeUaohc17BKwFRcPCVq_r7lDKJaHkQ 180
ase/test/calculator/exciting/test_exciting.py sha256=EJ4Rd8vJyLztNSVeNTwRqTf-Yhb6i1ZVGHOfz6VEp0s 14416
ase/test/calculator/exciting/test_runner.py sha256=izlJd3XjaojCZamy7be0-Qhr3xa4EwG_zF31TjMsDkg 1875
ase/test/calculator/gamess_us/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/calculator/gamess_us/test_basis_ecp.py sha256=DSikUe0vKVk4_w8ubgBc9bSSPCJdzrqw7w3FeVNE4oo 2630
ase/test/calculator/gamess_us/test_gamess_us.py sha256=ZN8Zli8YBIumYvDrr8OfsNZjkAVVkk2cFxswnHKi9Xg 1131
ase/test/calculator/gaussian/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/calculator/gaussian/test_h2of.py sha256=v7By9Ju4kUHJaQpKM8cfdrWkG7CKtfjoBbdMHnee8RI 2472
ase/test/calculator/gaussian/test_optimizer_irc.py sha256=kGpaHMipB0iCSusyVpqJzlgsM1tRWYrhTMxpLSlmKJs 1942
ase/test/calculator/gaussian/test_water.py sha256=WeVDPrL7Vzq2NBGSfxbF9HldREgCFhHGG-OCAz2MiZg 1129
ase/test/calculator/gpaw_/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/calculator/gpaw_/test_no_spin_and_spin.py sha256=DDnncQf1gEVGzbMFLB2xp05jmlFOwl5yan_e3YNCHxw 754
ase/test/calculator/gpaw_/test_read_text_output.py sha256=GvntMrCfnrIh6JQJTMlzmXjvjbfSVuUGWzUB5K42R9s 653
ase/test/calculator/gpaw_/test_wannier.py sha256=VY1kZaYUJtNWUrZDLlsje4hBUjIbDzxNzk_G0SF73xQ 26513
ase/test/calculator/gromacs/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/calculator/gromacs/test_gromacs.py sha256=YkLsav9FTIt7gggBEBc2Ppu4c6gqqmRykJ3WHZnGLtY 2811
ase/test/calculator/kim/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/calculator/kim/test_cutoff_skin.py sha256=MyVVPniug_ZCqg6oNDbse9ooW039YrL0H0n6WQT1sjM 2468
ase/test/calculator/kim/test_energy_forces_stress.py sha256=9CPB6s6RvejtyK3Qn2mGOoJvMGSwsNd_zlxCNwk2l08 1704
ase/test/calculator/kim/test_modify_parameters.py sha256=1PHpN7gn8HkcIu0PQXRLsElv_k3-vOg2nG9zcyytaTw 2136
ase/test/calculator/kim/test_multi_neighlist.py sha256=ccIvM1EmIMzWbhvBrSGIUH64gFH5XMbr1sO09g4HV_g 1693
ase/test/calculator/kim/test_relax.py sha256=Wv5yYg6nLsotwa1Q9Z-R_0UwydMWxaBk1-X1dbNubR8 844
ase/test/calculator/kim/test_single_atom.py sha256=cYfV0V1KMt5mT5CFT_HZ3cfX8pB7dEJA4qg51FDp3Zw 774
ase/test/calculator/kim/test_update_coords.py sha256=cep72iFMx2eNP15TuTtwRLjiTKUM8PJ_eICPtSSFt3Y 4809
ase/test/calculator/kim/test_update_neighbor_parameters.py sha256=rcEVICcjginGAdDVBqsIXk816HuP2oS_PegTYWAhu1s 3168
ase/test/calculator/lammps/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/calculator/lammps/test_prism.py sha256=qwnTXG5BpQjXsgBak4YcEm517ygoqpW3cRqVpwoXas8 5153
ase/test/calculator/lammpslib/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/calculator/lammpslib/conftest.py sha256=vz6XZDjaziMOQl6DG7irYnTNrXLjTgBdeMb6J9RNykw 647
ase/test/calculator/lammpslib/test_Pt_stress_cellopt.py sha256=xXKsrS_BRFcTWGgzRT7j_mdzD_grYQxVcpvV0zg9ryc 1503
ase/test/calculator/lammpslib/test_lammpslib_change_cell_bcs.py sha256=OXXm8QJgyJ5DCwYl4PuFVThoumpuWb4RbCRmDSAvugs 1133
ase/test/calculator/lammpslib/test_lammpslib_neighlist_bug.py sha256=fK8lclf4eoE4LVAtApwUK4otISIVD5gbGp8lnkKKzwo 1309
ase/test/calculator/lammpslib/test_lammpslib_post_changebox_cmds.py sha256=_0UfI46w0NW9k0KdGmQvo0ECypIxuLuOOZHIP9u1UKY 3954
ase/test/calculator/lammpslib/test_lammpslib_simple.py sha256=zkIIWoMJk5yO6O0mdYo5d6UXw8MWUOjLp7SZ6t4yz8I 5705
ase/test/calculator/lammpslib/test_lammpslib_small_nonperiodic.py sha256=zg9c5yEEoTHB_XZs1a91CDmX6IVTWgi6D6uDcMMyOw0 1187
ase/test/calculator/lammpsrun/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/calculator/lammpsrun/test_Ar_minimize.py sha256=EEFWJ767iIsbmDXs2-MOnT5O2jLA7aJs81vIhNKncN4 2596
ase/test/calculator/lammpsrun/test_NaCl_minimize.py sha256=JfvTZy_6zC7Rdb17JT6qnt7ZXBIj9CoMfz1YEYy52H0 1717
ase/test/calculator/lammpsrun/test_Pt_md_constraints_multistep.py sha256=H8kgpS2bHh1kNGzOKU2NS21WCaecEmZ_RQPpOLFVeOY 1786
ase/test/calculator/lammpsrun/test_Pt_stress_cellopt.py sha256=wzn5or3-jUXC4VH8MRk77XNiiL93zKY83EPFy0HuBg8 1528
ase/test/calculator/lammpsrun/test_lammps_units.py sha256=RWHukOJ6FjDXeGXVpUTlpTkRi94gpLh12ooXNnRC8eo 1150
ase/test/calculator/lammpsrun/test_no_data_file_wrap.py sha256=XOjpm0JTxzrcI38iDpLl1L2_z4LEkVJq78rv0t34Di4 1610
ase/test/calculator/nwchem/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/calculator/nwchem/test_nwchem_bands.py sha256=nXXtDiS53aCbybnDZFi7-L1kTsp0N4iy1PfzbfKVjUw 373
ase/test/calculator/nwchem/test_nwchem_broken_symmetry.py sha256=TNlE_EllASrKRAumZtiJLgMFqyEm7YPUAC3Kav7SIEY 1873
ase/test/calculator/nwchem/test_nwchem_cmdline.py sha256=mjw4gYWcsNO1TKL-uUf92MkV4euD5KOC4x3-h_8ePkk 957
ase/test/calculator/nwchem/test_nwchem_eigenvalues.py sha256=SorEahGCPV1o7QzUC5PAlu7zul55zGx1TF69CkwOhTU 823
ase/test/calculator/nwchem/test_nwchem_h3o2m.py sha256=QAZ5zT8an21NmZM2C3SCIFFs0ZOsQlgmeHWOrwnWmbc 2005
ase/test/calculator/nwchem/test_nwchem_multitask.py sha256=4iByETb9u0ZRkfWSP9x81Pbmr82OKj_LiG0eOGRjcmU 2499
ase/test/calculator/nwchem/test_nwchem_parser.py sha256=jxOuShs5a2-iA3jkEL4gD4aH-uRPSNL__nfBC7cOCVk 176
ase/test/calculator/nwchem/test_nwchem_runmany.py sha256=V6qq78N91voWlueVdr8P2c8uat_BD2WRdJxN8dz54r8 2560
ase/test/calculator/nwchem/test_nwchem_spin_symmetry.py sha256=Csku3M4oKda9P567y_hBqT_EOtCb3AYZN0crEhdanjc 862
ase/test/calculator/nwchem/test_nwchem_stress.py sha256=QXLw9m-qWV834Sg-iBBGZY1jpu4Wcb0llIv72eUdVmI 551
ase/test/calculator/nwchem/test_nwchem_version.py sha256=fWez0OE0ulZodgbXTEKumuTFMnhT3MXGF2qp2yuVH34 180
ase/test/calculator/octopus/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/calculator/octopus/test_big.py sha256=3hffdH5-eFRbZFXL6QrgpfHgdugMvfXV1SQTwnGN3H8 1063
ase/test/calculator/onetep/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/calculator/onetep/test_onetep.py sha256=aBfUb0YGsPGRkNI70cUm-6hZwhaMt7VoZ4FX8u8bvBY 994
ase/test/calculator/openmx/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/calculator/openmx/test_md.py sha256=7M2SK-Me2URu5jlL8o8kCumRuFkoKhwBcKoPv0AqbWA 1464
ase/test/calculator/openmx/test_version.py sha256=NJ9t_Vl4zSMrRuDpumrtejgRf-RCYbYB9XO2yBnhRUc 424
ase/test/calculator/plumed/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/calculator/plumed/test_plumed.py sha256=a-kq9ROKp7I-tuK61ynOq3PBUnEiVP5sUMrfv90z5dQ 9695
ase/test/calculator/psi4/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/calculator/psi4/test_psi4_HF_3_21G.py sha256=ZwY85Xe5iHCO4SzYN46SUsYpjaME57QGCyc76-A5Wvw 1187
ase/test/calculator/qchem/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/calculator/qchem/test_qchem_calculator.py sha256=5rkev64g7myR_DDTuHqSDc8z7INUgnuF-KBd7D1C_Oo 1051
ase/test/calculator/siesta/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/calculator/siesta/test_bandstructure.py sha256=-CbhZqp5-oqcyz-KYC8UqiAo8bL8Rk3BUcDGLsbSrrU 404
ase/test/calculator/siesta/test_dos.py sha256=X2AI8W5QT9_McOTG2ch2rkMRkGLIcEnDpEDVLyYzxRE 289
ase/test/calculator/siesta/test_fdf_io.py sha256=ZVMxgdFdcxqCVCLZuSnSMGIUed3jjxXe7QdHCyK1PoQ 535
ase/test/calculator/siesta/test_siesta_read_eigenvalues.py sha256=eqLNEIT90Ru6QZvI1t-MOXrGdv_yY7EBNj5F-6W62Gw 966
ase/test/calculator/siesta/test_siesta_version.py sha256=Pt88k26RByN2In4y_gwAS65xDjb-eIGZ-lhkTxThjKA 1117
ase/test/calculator/siesta/test_siesta_zmat.py sha256=aQrIxP_1TRxBWI3nHSEeaa3DG57uM8-8_pKk0iOkLq4 2691
ase/test/calculator/siesta/test_write_input.py sha256=FUsSSxcf04yLc8z2Lai6AT9_x8q3LS-AksEppn71fzw 4625
ase/test/calculator/siesta/lrtddft/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/calculator/siesta/lrtddft/test_siesta_lrtddft.py sha256=A-1WnpPkQ3aF4zERtGPoVu-OH3TLxcTl_Bie3AFy-vA 553
ase/test/calculator/siesta/lrtddft/test_siesta_raman.py sha256=XOYmoxKqv8V3vwjdO7yK851hB5tKRaf7BH4A2l_gVxQ 1000
ase/test/calculator/siesta/test_scripts/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/calculator/siesta/test_scripts/CH4/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/calculator/siesta/test_scripts/CH4/script.py sha256=UxWC6GIyYCu5gE2D8R21RAky9MQq05fpY_DuWsjHfFw 1339
ase/test/calculator/siesta/test_scripts/Charge/script.py sha256=h6PBl5t8YcDAjWJ1pFpHxA7G6RkSnDcs4xYiwdnr5ik 767
ase/test/calculator/siesta/test_scripts/H2/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/calculator/siesta/test_scripts/H2/script.py sha256=TDTL1BGEHROmPspudDUMFMhc4uKxh5LLdgejJDeQg-o 614
ase/test/calculator/siesta/test_scripts/Na8/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/calculator/siesta/test_scripts/Na8/script.py sha256=TUymi1bCDKeifRf1yCeLq2YZVKP2cQrDIWPdfB6i3pc 1409
ase/test/calculator/siesta/test_scripts/Si/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/calculator/siesta/test_scripts/Si/script.py sha256=SZWyqlUZnbalZ6YoCwZEdH2kYqoYxa7p_kKz8C5i928 789
ase/test/calculator/socketio/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/calculator/socketio/test_h2_stiffness.py sha256=hVAhT63DRxF2QTlHDuzjeO7FcFb3-d9yTyNvoaQlgE0 1501
ase/test/calculator/socketio/test_integration.py sha256=iR4LCzV2iv9tQ1YsWrnb1lsnfahWwykKvuSM8w73jpM 937
ase/test/calculator/socketio/test_ipi_protocol_bfgs.py sha256=WzGPwQbDbG89GyrdbEJAvPVLSmAvr-OqT2dhB1e09EQ 3381
ase/test/calculator/socketio/test_python_interface.py sha256=Gva24i40iPT4agInjaIhAs8awVJnHZBmx3nLPJAglk0 933
ase/test/calculator/socketio/test_socket_io_mpi_line.py sha256=q5oqTzmBiaMZWPydaGd53-Q6WOZ3koycr0aOZP3Iwwo 733
ase/test/calculator/turbomole/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/calculator/turbomole/test_turbomole_2h2o.py sha256=S5cX5ir71Y3vRnZh2OAnstUZp2BXu6SGc7Fd010N9s0 3026
ase/test/calculator/turbomole/test_turbomole_H2.py sha256=c6BKWuxJss-oIr0Tub3LgSTktsxfiBuA8NXHnN2cGN4 1336
ase/test/calculator/turbomole/test_turbomole_au13.py sha256=TycfStbGzBnfzr8NTyZ-gGseSnJE20vOKGfPV_xEDoo 1889
ase/test/calculator/turbomole/test_turbomole_calculator.py sha256=i48mkW5wKHM33PV6R_tWEvgUGNtxx1MS5P9GiCh6XP0 1124
ase/test/calculator/turbomole/test_turbomole_h2o.py sha256=20ufmHZM1dFFPBnee2tG-XSmvhRh8NbV3_Ss766tk38 2443
ase/test/calculator/turbomole/test_turbomole_h3o2m.py sha256=eP9dr5co7_2w8IKl4PJyJjATgW3MX7ysQdF6rvqbq2w 2232
ase/test/calculator/turbomole/test_turbomole_optimizer.py sha256=ujq13JzMeb2TLJXQeeu_vQgQvXwVA2KhIa4atlJNv0s 914
ase/test/calculator/turbomole/test_turbomole_parameters.py sha256=khj4_j-hYLY6OLTonasytyyTQGvf68AEFKXetE-a4ls 3773
ase/test/calculator/turbomole/test_turbomole_qmmm.py sha256=vLa6TfExX3TH2JqtHruXamWxPfBDgpdSzmKaQCBFJ8w 3036
ase/test/calculator/turbomole/test_turbomole_reader.py sha256=ZewlqnJf_tvabV6c0OYcLqPMkMyI9HIBABsgvs8SXpc 2459
ase/test/calculator/turbomole/test_turbomole_statpt.py sha256=fLBrGAcT9FyDLe3wK9Dc_MfY6H7lkmaAt0wwT-R1Oqo 2153
ase/test/calculator/vasp/__init__.py sha256=C_CDIZHmTpsRVkejgA8oPbbLloIjM0H7GfSw_9WVgwk 546
ase/test/calculator/vasp/conftest.py sha256=-CSNMwzjOslmWJJtND6aEp4WjXIo5XJU9quEf3kZQoU 1757
ase/test/calculator/vasp/filecmp_ignore_whitespace.py sha256=ac63jgl0yd6ma91Qm6bO7s-qiaJOBZNtw_5LW9zvubk 717
ase/test/calculator/vasp/test_chgcar.py sha256=MEogIgITtXjuOs1SlA71tzXZM98zILqgJa9edhFAL1o 547
ase/test/calculator/vasp/test_vasp_Al_volrelax.py sha256=T6Pz-4peVnjRncUCDYDdI2TKnbL_DdVUbK_I0jn0szs 2470
ase/test/calculator/vasp/test_vasp_calculator.py sha256=_ro0k8-e31krvpgFHPrqfqpUYxk_UYuUOu2ESdjpCQo 7334
ase/test/calculator/vasp/test_vasp_charge.py sha256=X_OB0IJyvv9nuz_i3ooDLnj-4AL32s-0WkCLj5dfwvY 3582
ase/test/calculator/vasp/test_vasp_check_state.py sha256=GOTZ-bK6CXp3hDMEkMEhPI8LT8qt_VsOIRFywCCywfg 2194
ase/test/calculator/vasp/test_vasp_co.py sha256=AITCKOfnlBkgra5_QsCpUqce2IVg1895G1EeNzYg94w 1888
ase/test/calculator/vasp/test_vasp_converge.py sha256=22B9cIIUBB-JWOq9HlLBWzkPF3bwH_O0dsb4cRICpN4 1253
ase/test/calculator/vasp/test_vasp_errors.py sha256=Ng2vf_JY6z0Wp1OmH1I7eMgY22reF_LjhY47ZMoiZ90 1029
ase/test/calculator/vasp/test_vasp_freq.py sha256=C0gPliW_uWBpWDWS1ij-62_z65ebwo9VDdCd9F5PO78 1623
ase/test/calculator/vasp/test_vasp_get_dos.py sha256=5689LyljgFTPJ50XSlRqDKX3333Sk9B95gzLOHwo2h4 863
ase/test/calculator/vasp/test_vasp_incar.py sha256=AD-tOIDnuvSkpMUdEDhMuc8UkM5_0gNHMa9U5o4Ym04 3503
ase/test/calculator/vasp/test_vasp_input.py sha256=4WytabyL4RdCO-YxF1W8P9Crs51-SzIUDcC1SXhUj04 10814
ase/test/calculator/vasp/test_vasp_kpoints.py sha256=gqmSauAh5rv-O-IOWjc1LjKsHsjVjKWGgxpSlMuEHqA 4115
ase/test/calculator/vasp/test_vasp_potcar.py sha256=M-sDJmFMh61wQ2eHtcFGl-zjqTQjYVReqUb8avYB7q4 1639
ase/test/calculator/vasp/test_vasp_setup.py sha256=H7LQEf1VatGmfvC_TyTG8lLpznAI-Yv2tFnxgbh-qhY 2478
ase/test/calculator/vasp/test_vasp_wdir.py sha256=UP3dSbJ0kNfVAA2jiiS8kHLHMR36DSrtjt9NkSkVqlo 2381
ase/test/calculator/vasp/test_vasp_xml.py sha256=ggMeg0pfh27MrbDXPnP_na2RKx7Gul67KAuvz2hzu1M 1927
ase/test/calculator/vasp/test_version.py sha256=Y5gl40OpG6xrjdc0JxnwJ2PSBiW0XbjWP_FcoK2-qb4 371
ase/test/cell/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/cell/test_cell.py sha256=ar2lfBA1sA1muGCKUhj3t4D-QxjGWEBMHuljgYkpUfA 2827
ase/test/cell/test_cell_completion.py sha256=Dmw97ZALQQq8HQ9qh6hOzQcQsCduDVLXWmz1V2bKVcM 665
ase/test/cell/test_cell_conv.py sha256=9IxyMLh-g9640LUZfgGllQsOz5Mg-vWr-5QUlRGh9YM 2588
ase/test/cell/test_cell_uncompletion.py sha256=AalF-gXxeE9A6BGFyr44eP-Fdf5qpF30gaknkqMDmxk 632
ase/test/cell/test_conventional_map.py sha256=zeobG6z5RMIsIBkR5OoeRdypD0ijVUYo8xhvMtMQacM 995
ase/test/cell/test_minkowski_reduce.py sha256=wvlTyRZC_ldh0kvW0dKpwWep6PmgwapAr_JtY6CB7F4 3067
ase/test/cell/test_niggli.py sha256=Zb6Owz45L3IQOoEOk5M9hyARVqSgTgFA5iBbKrttC0g 9901
ase/test/cell/test_niggli_ndim.py sha256=oEN1zNMFVjqJbIo7aI7Jnn0hk9wVA62Ebp8xrs9FyJo 1727
ase/test/cell/test_niggli_op.py sha256=CaZcSiKprmV842_eUPeuF7h6HXMIXYaoBLLDof9mAqY 467
ase/test/cell/test_standard_form.py sha256=qEgPVrJc_kglNgC3y0ofhwR3ACQiEWQGvMHI6vAk5NQ 540
ase/test/cell/test_supercell.py sha256=IRCLVYrWDoHTwx6Z2TwWDibbqnvVJLN0JA9ebYWaCgo 2399
ase/test/cli/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/cli/test_ag.py sha256=nYIRsjTgUnBkJ8PtMXAE1tpvlk9RUTWGpZ7RLWxw568 246
ase/test/cli/test_bandstructure.py sha256=-5qiyRXwDlGVgydXMsYPcnckxSHYxJlvZDg57JyVKd0 646
ase/test/cli/test_bzplot.py sha256=CEdvvH5Y_rcZA7_o0MNWTfHaLCE3FJD_0w8PRRCWs0s 531
ase/test/cli/test_complete.py sha256=pYVecfF6VQCj29bhOZ6z0TdCV0f3TZPfImUGHVKQ0VU 200
ase/test/cli/test_convert.py sha256=be5_3EIOg7JoBUxW9VZKRzwB9qNxLYz0F78httfKX5Q 497
ase/test/cli/test_diff.py sha256=v9K-qgYFotzEhjnugaB07yQEwq71p9AmxdngZfBzudY 3994
ase/test/cli/test_dimensionality.py sha256=cS--RiwlsdZVLdNsqrOO-pYr1rk6Cqmhtl7NOYijBgw 1062
ase/test/cli/test_exec.py sha256=l_KwcCOBiVq7pzcIZFOLyrybelXiBTxiSf9kSgcY4Z4 1430
ase/test/cli/test_imports.py sha256=3otT-3K9t4zEgXpPQGE38DbOku_Z6c4nzjaiZePSolQ 705
ase/test/cli/test_info.py sha256=fTitjKv1HvNN8Geb-bt5RDJKD2AiBWakubome_Am-T4 754
ase/test/cli/test_run.py sha256=NWemEqSVlBBfM3nHTGKgOPu2e5ntGVprCJldf4k0qKo 565
ase/test/constraints/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/constraints/test_CO2linear_Au111.py sha256=Isvm1ck2qRAwBzovA24ax7VGUIbUoh1QufXGqO0GRWo 1492
ase/test/constraints/test_external_force.py sha256=14MRE7lLCFMYuuvhsTfkBF6_s8GKVpW2k4XZX4NlGzs 2086
ase/test/constraints/test_fix_bond_length_mic.py sha256=O4t8INjpWIidBn_FCi_CrJ0YQybBpEb4ocQHjxeg5Q0 929
ase/test/constraints/test_fix_symmetry.py sha256=17_X4BCY9kxjVzISllit_bklc1rMetj2pL9WwhKyE_w 5974
ase/test/constraints/test_fixatoms.py sha256=bWa5nbGCkGVsxVRKlRRfy2KgLRIJ4EStioOFqeAQ9jY 634
ase/test/constraints/test_fixbondlength_CO2_Au111.py sha256=WX3SkCA42kdoC5q_-_61QpB_t9k8xAUETPjlujq0Obs 1352
ase/test/constraints/test_fixbonds.py sha256=mSetMI9O1k1eSIKjROh36sUQJBI2F1MIebwC33W4z_M 529
ase/test/constraints/test_fixcartesian.py sha256=If9ephWS7OS-dSetkQhX1m3zcXlRIMgOSILqiq7H1xQ 1672
ase/test/constraints/test_fixcom.py sha256=qPcitfbn6CI_TioT418IcuZrXDRQVleAKEXl2M33Rk0 1655
ase/test/constraints/test_fixedline_fixedplane.py sha256=-m2IG3YI5ufqjzlDSk6JcxSmLDWtzw2DqHlcgcc-66w 3990
ase/test/constraints/test_fixedmode.py sha256=GNG_igDuL_HQ2d8QfWdtk0xkaEYh43aqw4ELoAtCy2Q 753
ase/test/constraints/test_fixinternals.py sha256=1t4HCHAwWTe5OWRBDLzzREMD1-jHldfFUOXgFJM8jC8 6601
ase/test/constraints/test_fixscaled.py sha256=JBv5aIKnM6-I778aX0oHCZIHTwd_W2Hws8neBA4E9ew 829
ase/test/constraints/test_fixsubsetcom.py sha256=1FgXLG6zKuOALknB4gmIa71GaGizQeh5NmdolBDkKTw 1947
ase/test/constraints/test_getindices.py sha256=OYmO7KAIP4_aPOzXZ0petCGmjLdKK8I9hd9tYXZlcC4 809
ase/test/constraints/test_hookean.py sha256=_WrmaB2lvHG8EAofxti4mUr1P7PqGoMVixfcQYbE-2U 2257
ase/test/constraints/test_hookean_pbc.py sha256=Mxig63co1zUGO5a61h-u6QQx4b-8G8-lSHq4cRtj-H8 722
ase/test/constraints/test_mirror.py sha256=Ij_8o1zOWRKt6JCGacWI1rJR8VfT0OhbbkJIiBOVLMk 963
ase/test/constraints/test_negativeindex.py sha256=rI4M_vwe2RZx9H-H5Rl3sZNWjpxSNQtxvYOPa-T1xmQ 494
ase/test/constraints/test_parameteric_constr.py sha256=vub-iXtllo2V9pPNptJx7REzyr6n13-uOnhYjzxGfzQ 4550
ase/test/constraints/test_repeat_FixAtoms.py sha256=whoD-3yP1ISAa4QAJlrGcR_WH-q-OEa2TOXGuiJ-tyU 1007
ase/test/constraints/test_setpos.py sha256=wdC0f-CiEiaYmvkDcphImWj4u3E-VyNb52CdeU-MZ_8 872
ase/test/db/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/db/conftest.py sha256=hGDbPtv0SEDn9nVZKqOZmgx8wQ_wCcnIk4oXWmKkr9I 2762
ase/test/db/test_cli.py sha256=HTJGhiw3fGBz1Bkyr-5myurW59lJsNfyRV-Oi8lvCy4 1942
ase/test/db/test_db.py sha256=6bwcEO0n9QWftqDa6x34osDhIdqASTyR5hDTesQtSko 1669
ase/test/db/test_db2.py sha256=8WLgyXapiG5S9qf_zva__Q2KKgNLKLQ2voSYulXJ2i0 3366
ase/test/db/test_db_web.py sha256=CtmSVcThWMv1UyhPlWViNEdQ7Oe30G-tt2N-slmVJ70 3620
ase/test/db/test_jsondb.py sha256=FiFOiN5l3KSYgaHjOJNYp06IFstj-GA3XwPCFT00-OI 522
ase/test/db/test_metadata.py sha256=g_G1hQi7gnWHnWBNdTcRf4A6mb7KynAm4ZRxqXtL9Iw 1152
ase/test/db/test_mysql.py sha256=RfdFx7ppfzz-lLOlJFgf0Z4GDP2iFDvf56FJYu5-jfI 2975
ase/test/db/test_o2b2o.py sha256=qHk8mDeEUQPvfPxv4-7NrvJCe32EdtBhU4yJh30JimU 639
ase/test/db/test_row.py sha256=wyDG6IJNzhqcT5AWuyFmeUjd2urhAyOVDlHyyXb0Nio 242
ase/test/db/test_sql_db_ext_tables.py sha256=DTbs7O4_N1e78qQTaaJpvcOu4vwnnE2eGtMHnkxmUlU 4938
ase/test/db/test_sqlite.py sha256=mCU6c7wzgOwospdl5us6rIFzLbXlIpsERIMTrYuvYlo 1677
ase/test/db/test_table.py sha256=TsnezW5t6gBtIjsjX7adv2aqA9oOhaaz200m2q2YrVU 730
ase/test/db/test_update.py sha256=4nvG0TuWSaBtN1qVHlleg7EEnGeJgNL2xTUWoG9uRJA 1090
ase/test/dft/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/dft/test_bandgap.py sha256=740d92IaASbl9prhZM_zC-SVEVlbC1PXc_htXVm3Dhc 1711
ase/test/dft/test_bee.py sha256=z8lswf0Py2-4mXeEH6lnvk7FfcSU0LwElLkf3NZAHGU 1313
ase/test/dft/test_bz.py sha256=8xToEC6eY6xPLF_X0ejdsm0lpskNmc14zKPCtsSUfX4 599
ase/test/dft/test_dos.py sha256=VyPFszYDIBBtefR_1VjS4uonQbVwX4e0GSKFS1FGAqc 543
ase/test/dft/test_hex.py sha256=rrokYmjsaS82pm8D5D8Hyikw_EBbDwSDES5G-XU3uQg 1336
ase/test/dft/test_interpolate.py sha256=AcoWSQpQPqGYDDcn6FfNIskKGNFkRtIM9yXxaOXsOoA 370
ase/test/dft/test_kpt_density_monkhorst_pack.py sha256=kV0uPgLWYqiswZ7f0U5MqUy-frYQmZxF3bJ4GzbF6H8 290
ase/test/dft/test_kpts_size_offsets.py sha256=72sJee3EYADgfmWvTp1578dqEAWQq3geg3r1dcL5oyo 3255
ase/test/dft/test_min_distance_monkhorst_pack.py sha256=CimsVUFLWv1AZBvItrbM5GEkWIRR499wh0aOVw8DDCs 850
ase/test/dft/test_monoclinic.py sha256=mhrhwFnLs9U-DYc_56ocDXR1WUMlc4OZ-16yyrto2L4 1252
ase/test/emt/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/emt/test_emt.py sha256=xLUtq1mVwuMmbyS35k9cp-JZrx-LQG14Km_jG7iF0rc 1830
ase/test/emt/test_emt1.py sha256=r_nbKhVL25F1gyOGorOexvUb74gXmLxb4HvrcC3Dzr0 752
ase/test/emt/test_emt2.py sha256=Vebe7-zPTkRiJgYcX1k6KBr1OjwOKY3n75tE47kJj0Y 435
ase/test/emt/test_emt_h3o2m.py sha256=a0UKLcRvou5QeYl6BP5duaj7hvpgaoq1Ie4gv7A0ywI 2020
ase/test/emt/test_emt_stress.py sha256=cf7sFOJ49zOvnadzgfCOee66aNLtSnW3jWVV_VMB_8Y 830
ase/test/filter/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/filter/test_cellfilter.py sha256=4DloINFPu5RkZZtYwtCV4YeMFFgKb87_1hRwfDlX_1Q 5158
ase/test/filter/test_filter.py sha256=5lWToH3ZwGadQXovcbpmqmbxaEttBaXmRasHgKsHlnc 530
ase/test/filter/test_strain.py sha256=g82ZvrdvgJ0LGd8EaJi8o-32ia2THgGIVHvSZTggOnQ 597
ase/test/filter/test_strain_emt.py sha256=Lz5mK6egKmuARR-0spr6BaYcsHaXKfFXDlk1mPIdRNI 334
ase/test/fio/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/fio/conftest.py sha256=ZlTjXRnTe0KG5LZc-2Bdb1lvz5ivzpnteu21ToOma78 87
ase/test/fio/test_abinit.py sha256=qq8o0eDuCSpIM5C1KcdhgpLb6IGoVrncuTAVlr-h7PI 3899
ase/test/fio/test_ace.py sha256=ITRZYdfYT8EpXVMaTS1rhyT3obqy3XGz0j78WSY4LzA 2214
ase/test/fio/test_amber.py sha256=4-rTozoeyAnxoTZB3ePhPOLx3BER5fpHETQlniLtIt4 974
ase/test/fio/test_animate.py sha256=x7g9uv8pmx3_g_Mpd7KeJrkGVNCHEgFHdr3mQPs0Das 421
ase/test/fio/test_atoms_bytes.py sha256=9P8Tw0xBjanilsY0TtRN7ZGWXKxVOc5F-3tYTWJMsBk 662
ase/test/fio/test_bundletrajectory.py sha256=px---Q_H6smm7WUmrgIx6-ty22UpZ3MDqg-ShuMkquw 2797
ase/test/fio/test_castep.py sha256=Lgxm1YDhflPWHPsaDdLE4hk4kjb_S1Jj2MsIu43IL0g 7352
ase/test/fio/test_cfg.py sha256=WzvKvgxj3bBRUXpEMk_QgPgEbTZLONLrdFR2GQB8wLk 445
ase/test/fio/test_cif.py sha256=qnFotSRKdQafJJ6A7jFOgyCy5Oz6aKfZlfXAZl4dOvg 16485
ase/test/fio/test_cifblock.py sha256=h_Mj45ozEIjtyzG2zxGu19n2gQSc6pprSSKYZ2akD6Q 1846
ase/test/fio/test_cjson.py sha256=owYaC0N-aZV2IZVWCdPCHZ6TlycTwUQpM0Eb_Sn8nt8 2283
ase/test/fio/test_compression.py sha256=plKkP1e3FSGM2dXAy4pc1-CS5q7LgGe-B6TKcY-J4wU 2928
ase/test/fio/test_cube.py sha256=9I3dckbE_gz85hE21694UcFj142UC2vDC9aqLR8aOU8 8618
ase/test/fio/test_dftb.py sha256=YYB3gzw43V4_wFI0IIR1vGaM8vMNCqBOA1Odyapz4iY 6888
ase/test/fio/test_dlp.py sha256=kuGLi9UM7qEmgy-dVFyfTbAjmnPC6610kl3P_WSCB0s 9033
ase/test/fio/test_dmol.py sha256=C2JgtftbhfAs1slbbbimRzvdXI0Ql1qkeNAjjKPTEAs 2229
ase/test/fio/test_elk.py sha256=rEU_4_bhKBmzyVBAFeoziS2OGbfkV24AAit03Cc0obo 1939
ase/test/fio/test_eon_multi_image_read.py sha256=Iv_WFUaI3Ux9pFhU5HIhPL6RluX9BoVUgFd0uRYvQxg 15515
ase/test/fio/test_eon_readwrite.py sha256=605FFSznvRqzHt3-MlGciE_3P4J0z58W9VvsTeqGNps 3019
ase/test/fio/test_espresso.py sha256=ypbQ5P_L_hwJSH8MvMV-I2kBpozlieNjOnRltXyOPUE 23310
ase/test/fio/test_espresso_ph.py sha256=POkRE-7WVVf4oR-Y-y372vhc9lGFxS5TqHt5KIOZz_w 22691
ase/test/fio/test_external_io_formats.py sha256=t_OaTw1wuuv8q2h5TEqeJlEkmZ5Ldi3r4REKjqHK2Js 3413
ase/test/fio/test_extxyz.py sha256=e9iVejk1U3V5g_ieUh_Z4Mll4qPb62031IBYPMruvto 17712
ase/test/fio/test_fileobj.py sha256=6vkTxYmvP1O5jkE9dies4OES-Xpln5_erA0wcZKvXM4 1304
ase/test/fio/test_formats.py sha256=A4Y0FD0IxTti7qsJ8emaMYOnzqrb_CB9iEEEL6t1LfE 670
ase/test/fio/test_gaussian.py sha256=3g7OeW2yRPNkcxH8qDBvJHNcqalMldlQAq9SLZr_BDU 20461
ase/test/fio/test_gaussian_gjf_input.py sha256=JiUJwjcdXzdrFN794pWnaoDov5tJ8TxRKndBSBpYabk 8618
ase/test/fio/test_gaussian_out.py sha256=_ZyGWfazLPxBAlN0soLJHrhq5iAmBxpFa6fG7UWIhSU 14007
ase/test/fio/test_gen.py sha256=eSR3Rz9NZh-_l1D_psYhrDSbp_IyWXnDNacv4w9EaDI 1448
ase/test/fio/test_gpaw.py sha256=otNA6cG2UtDKnetC-3kFYMX_iqwdjcBfPnQE9y8JT7A 1531
ase/test/fio/test_gpumd.py sha256=xyUiA_jXxqjKdXVTAbDNLrJqG4VT-BWAuqJmGST2ZAI 7243
ase/test/fio/test_info.py sha256=kJfZwIYxVL6EzU-VuEmX6LUJib-houKYRDmxW4goAtQ 692
ase/test/fio/test_ioformats.py sha256=KRoqfF9cqSs8vkvP4H1gjs0m7Q-Ha-m2jf9drnaCd24 712
ase/test/fio/test_iread_path.py sha256=mNodIcxQctOAYbbdPkixdrWMLJtmF80pdwneMcEb3VI 209
ase/test/fio/test_json_arrays.py sha256=F9TA0f7f88lpoSeL13zi53f5Dko8nf9TghdIeCMgzj8 728
ase/test/fio/test_jsonio.py sha256=tmMRozKC6K9SeOuDbEAdHSGBStug4sAo2deItd6JOTk 819
ase/test/fio/test_jsonio_atoms.py sha256=NoCrhBwYob7nyhKk9dHOw7m8o-oTTTAmMItoDesOhM0 1992
ase/test/fio/test_lammpsdump.py sha256=9I8NMjDDARm9A1hgvQux21abC0pm65W7JsJQQW02uIY 4860
ase/test/fio/test_magmom.py sha256=aTYLiN_vvzsGMR08DnTpXn7LIEEBWZAoa8oRa8rXsI0 376
ase/test/fio/test_magres.py sha256=qpuu3th_lyy2JCkPmN7JERJG4X86qy1CY9WxCWZBBv4 1011
ase/test/fio/test_match_magic.py sha256=h9Eh2SP7OcCL0XCKoIRWTyDh_AkMewA8dKyeK9z4PS8 312
ase/test/fio/test_mustem.py sha256=Cq83UqSJiXu1Ivydzmh_HleeJo_TsBPlkgZoRKP4UVE 5488
ase/test/fio/test_netcdftrajectory.py sha256=iJtQLBZfB45Lr09-q4NJaf5Vtq0nHmj567iV-qn5wuM 6794
ase/test/fio/test_nomad.py sha256=3ubm8pc-JLf33NwoEhiIvxRxuwyyXP2_R58clgCToaU 923
ase/test/fio/test_nwchem.py sha256=YfTAdW9He6qHjSKNaAFjku8wUyVGvmFEPwdw_Q_L32k 4859
ase/test/fio/test_oi.py sha256=9r7hhZKYD7FDbH3XO47qNWHlNbrB0qj_Za3uSd1KkDA 4336
ase/test/fio/test_oldtraj.py sha256=Xct781GBhNNBe_tiJ7rVHHOJbBBVCtiWnH6f-CKazQ8 2378
ase/test/fio/test_onetep.py sha256=pY6DNMPHDIl6AYBH9vL0zhjPIXRJ07EY_ehZvP6mHWw 122726
ase/test/fio/test_openmx.py sha256=idoiM6Y26NToeyGvriyh7r26lpeeCxAJG3KGzfldjHc 9636
ase/test/fio/test_opls.py sha256=JDk94UWdwi7ErZ6UFnTFMxzzqEwfoz3vpRujWsto1o4 2559
ase/test/fio/test_orca.py sha256=ud45UrNC2r_x3gPyns4n-6lvP6wmnlZbiHyyG3khJEM 6332
ase/test/fio/test_parallel.py sha256=d_0VlecClHoqLuDqQFP1rZVS_J6AtL2eD_P8iE1_KAA 270
ase/test/fio/test_pdb_cell_io.py sha256=utAJfspQ216-vhYgawrhV7USrNCRcZmZkoc1TUqjWnI 7430
ase/test/fio/test_pdb_extra.py sha256=fI6h63NyiOvwooMovy45HbM0-wpR3Jga8PDkDVDHPX0 2389
ase/test/fio/test_pickle_bundle_trajectory.py sha256=hwRTHQhDC17IV39fcpSWrxn7u23yvwgpsYGQVwv51vo 4075
ase/test/fio/test_povray.py sha256=8xLoSZv-O02MVG7L7R3zt1GL3ZO1lQ_h2oTOTkGz8ZY 2646
ase/test/fio/test_prismatic.py sha256=RTcbxKdgh2Vye7Zhkn0sO9poHgvDYf8ZgLYLqWgRAsg 2715
ase/test/fio/test_proteindatabank.py sha256=Yv4M3-iO7-AjvFw4OaTbgUG6l5zIhnqoNBmCcL6xWRE 2786
ase/test/fio/test_py.py sha256=xOP9nsFM-Dj1CJeAXg2BLx8TC3VLZZRrVymIhDggMzQ 308
ase/test/fio/test_pycodcif_read.py sha256=R3mVuuhn-GaJfVwWvJG00MjKNfK9yzezDC4cMMI_BI4 1192
ase/test/fio/test_qbox.py sha256=0Hoe79ZRIxN8d4RZ0W-L9NDma1wb0aOfczHMtgsVNsg 2064
ase/test/fio/test_readwrite_errors.py sha256=J6ilK3-c1uAHY3VhGune_CPuOkCTg9yFI-L65-AH1s4 2710
ase/test/fio/test_res.py sha256=k7s0k68SguDgW-Dl5B21O4XokFz6UrOJ3UQKdRgyxPM 12776
ase/test/fio/test_rmc6f.py sha256=c83UFyxg25QtzLoETCz7w_AGfq8Z2uuTyLxwNc2417Y 9326
ase/test/fio/test_sdf.py sha256=v3XhEh7aeV0RhMltAQsuBY0rTZ5Ai_vSpIu-4w-HBmk 2840
ase/test/fio/test_siesta.py sha256=s9n6lrmQl4FXaVtci3mLGzfv-G13bnHAPBXE4rReB78 1824
ase/test/fio/test_traj_bytesio.py sha256=1bZLcbDvrqtGWnLcZ7RWC9JIFt2yMXGOaHezRZcHaxE 453
ase/test/fio/test_trajectory.py sha256=0YOq9hV1-8wrTgx4zSThmnPqermE9EbXl2_7naf8HZY 3090
ase/test/fio/test_trajectory_heterogeneous.py sha256=RZn4m8QoiFFsR_yHk6kFzpuJEsZKekjJmzE4-a0w0JE 1519
ase/test/fio/test_turbomole.py sha256=G4lj37Jb6izOJRj6D0Kfhg-Y8S-NBdKr0Hb5gX2dZyo 475
ase/test/fio/test_ulm.py sha256=Gyh2q3rFpwUZwNuKDC0g30xFwek9nxa-d_SGeFvo5fY 1983
ase/test/fio/test_ulm_dummy.py sha256=pw7HZQBsp_TjjdEOayXnNdldqj0PzZ-WWchA7PgnKpc 438
ase/test/fio/test_v_sim.py sha256=tJ4tjm2SmyMGGY_xqdIcZlTR40kJSxs9jdd91kRZb8U 13548
ase/test/fio/test_vasp_structure.py sha256=1RAr6ym2HNAh2-lwtZhmSs39v_d5OwNxzpkqp67wzwU 5373
ase/test/fio/test_wout.py sha256=ebeVUPX4XzxB4AWuAXckHpfGrtrEqwFuT67zRqsiQFM 1410
ase/test/fio/test_xsd_bond.py sha256=smyPPhgoHufq7XMYn0fzJDPdtUhHjdmskbV4VhNDC-E 2798
ase/test/fio/test_xsf_spec.py sha256=xH_9hOoVPulHG8ZUdteemB5YmM7rm9iPoPWka3rrUlc 8448
ase/test/fio/test_xyz.py sha256=1q-gHKjgo4Asmgv93a6Iy8KPaZ7FB56n9xXhh__-u4s 2732
ase/test/fio/aims/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/fio/aims/test_aims_out.py sha256=sZkC0TIxEYcBFK6DjpmsDcYvOi2KLGsGQBOBAhrvCII 7065
ase/test/fio/aims/test_aims_out_chunks.py sha256=c0tRed-5V3WbamnelmfXm7HpgiLzff7xzkifKLC2SkA 51499
ase/test/fio/aims/test_geometry.py sha256=4vmD8ybpQ1Q0TSXWXn5NjD4YaoqPXp4X7UqBEloMxnw 8411
ase/test/fio/aims/test_write_control.py sha256=rGqlCeo8LlOn7k_Z5r8-lOYM8ND3GQMWQ_0RZTr0kGM 12093
ase/test/fio/castep/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/fio/castep/test_castep_reader.py sha256=IiyGq_TT5FELn-70mWPBUPascRdUdfStxRPMtymIsCA 26302
ase/test/fio/castep/test_read_bands.py sha256=d-eouKf3KySN0Lvy-bVkiwOLqj8TA91ssaHUzSpVyl8 3319
ase/test/fio/exciting/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/fio/exciting/test_exciting.py sha256=MTls7RwI7FEapNSbsU1TU_uLMEaUR_n58YHZWuqmXZ0 10060
ase/test/fio/octopus/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/fio/octopus/test_input.py sha256=oXJr1VAJWfR7wmGqwDcFaxTsC4f45DkudQOiKhCJMNQ 1679
ase/test/fio/octopus/test_output.py sha256=ufSNb2QHCfYrK1z_vu5i-EKm0_RPqllHXdFltExQL1E 3582
ase/test/fio/vasp/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/fio/vasp/test_incar_writer.py sha256=kotzf5pjItFOF1nI42GrpWxixm1hsPH5h0Ic5XWFmH8 3175
ase/test/fio/vasp/test_poscar.py sha256=YNC5qzqKcj9L8DMBmVjnYZ6S8Pt9LCmuLbVpVtnhCQI 806
ase/test/fio/vasp/test_read_vasp_xml.py sha256=V2Xjr7UfdjjLnP7_EgGeaeuDkYiavyKzQ7ZSeENrNc0 13400
ase/test/fio/vasp/test_vasp_out.py sha256=7ibZjFvsPpOff-ERaOkN2cIF6BQOFi3_CgC7zwCCu48 2489
ase/test/fio/vasp/test_vasp_outcar_parsers.py sha256=1VVR-eDa2wV5Kbtq4ATLd10XjbF2RuKHtfOQR3vxvY8 22670
ase/test/fio/vasp/test_vasp_poscar.py sha256=x6VgGlxTWifRkfQrrshPqnK88hw3GXFVMtBe9xRfWko 3219
ase/test/forcefields/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/forcefields/test_acn.py sha256=DxgrgI3swGiScR1u9UbcuujK1Aut6fYaULldxg_KGP8 753
ase/test/forcefields/test_aic.py sha256=6cZ89unlDvfPyUIlf6C9qka3P7GoXv2NN5pzif3VWXU 480
ase/test/forcefields/test_combine_mm.py sha256=ZFVzwiFSfRxVTCID9hCZnFVEj5znOX3Tx7G7cH6glYU 5291
ase/test/forcefields/test_combine_mm2.py sha256=z1CdewF2xrs_lGnW-NTNrQWVd-R6RCDHyKXvxvVXugU 2421
ase/test/forcefields/test_counterions.py sha256=lsTBRAEqW9JJN_RG0yHuSWyo9rE3RXt6F_srcea5dUI 770
ase/test/forcefields/test_forceqmmm.py sha256=IsqMohxVkO6G0L-ASSfKoEwUOYa31VH8M73EbWBSsS4 16091
ase/test/forcefields/test_qmmm.py sha256=WMEW2CsJEIPxFvN_1tkxwNAevtCOschy6oDoP7gxX8c 3206
ase/test/forcefields/test_qmmm_acn.py sha256=cBQdg1IkY0YACSynQI9jE2t7mcaN4HNPDYhDzzjfKYk 2135
ase/test/forcefields/test_rattle.py sha256=rHez4IuHJiIyIiJVmHHZDhRSSlpujNJeh23VzI-FLZU 1433
ase/test/forcefields/test_rattle_linear.py sha256=GZYFVGSbSDGPMTK8Fnfl2D-cbTmUPgw0NnJyunDhW-0 1895
ase/test/forcefields/test_tip4p.py sha256=6fT4MtT-XmR6U6YaY0-ggylmpAAnMdQaL3WtZt8SzgE 872
ase/test/forcefields/test_tipnp.py sha256=U1-IH1hTdv3kQ6x33fdJUL4_j2xsoST8MV4U8MdRaMg 929
ase/test/forcefields/test_utils_ff_vdw.py sha256=PUT4sWHHAtlVV2kF9JK_tSlY8wTEVogb6Qviqwi96xo 729
ase/test/ga/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/ga/test_add_candidates.py sha256=mP4KcPKPlG4miDg4XCPaSolzBnJWz92rmSi3hyO2Oz4 1826
ase/test/ga/test_basic_example_main_run.py sha256=EbqcVglDXNrzmwm9-15wqx_p71S5tr7XZB8064Nn1kA 5818
ase/test/ga/test_bulk_operators.py sha256=8EgYab5u1_nPSHtHEYBG0RbYsz47xmJGa1fUQYghaHE 4717
ase/test/ga/test_chain_operators.py sha256=ifqy5_v6ZxOy3oGJtInQMFCQo6lLFcCY_HbAPPTOWkg 3050
ase/test/ga/test_create_database.py sha256=-XdgxQntU8UPcm4XuBsadwtHO59aUTOQsnGEuvSYNSc 745
ase/test/ga/test_cutandsplicepairing.py sha256=FNrDIJimXBk3J7ocAhLiSwTNkRHYyCjkqGrle6u60WY 2303
ase/test/ga/test_database_logic.py sha256=DY1XFJICMsrw50JzpDPU3FqUrMuQouQuUGsy_ykKLDM 2615
ase/test/ga/test_element_operators.py sha256=79sbG04bCZTj_CEzpTwp0L2CUF8lN7izIyOkxBckX-o 2415
ase/test/ga/test_film_operators.py sha256=_VKVjmlPxWwzQNFdsVzpVNumNcBqfIaCPlM8uSlkpps 3226
ase/test/ga/test_mutations.py sha256=Es6EfHj-z8Jawmieg4E_dWTF7nkioLwO7I3s-tlYAqc 2591
ase/test/ga/test_particle_comparators.py sha256=UFHHG7INlnlGThNmZ-7Wr0D6PlRVlk7XbnGY_SZcICw 1120
ase/test/ga/test_particle_mutations.py sha256=YK9KuG07n6H02vLFtdU-zh3SFFR8YUBZbJYFvFTmCts 837
ase/test/ga/test_particle_operators.py sha256=rikLryWMbEQFXj3ZkthS0T1LC9id-1-y2Evpla199vA 2064
ase/test/ga/test_slab_operators.py sha256=zD4HEbzItOILVVPF_YJAPk4tBLKVuEcaKnWHnP7Vyrs 2920
ase/test/ga/test_standardcomparator.py sha256=q9bq-6X3Pe8M4zH7PcBPrFK-WHfe0grVQ5597OFjL30 1905
ase/test/geometry/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/geometry/test_analysis.py sha256=SzpFNBosn8IGWueoqd5D_b_NMqLi_V1HF5AMNfX7BIE 3415
ase/test/geometry/test_dimensionality.py sha256=b3g6AjPHkMI5h3gLDCzVWlCQ6zE8ihY6pj_5XHXVIj4 3331
ase/test/geometry/test_distance.py sha256=weOzsnzv_5GJKDk08sOsWGT3m8g2wPjC2o7YKJKog1c 1588
ase/test/geometry/test_geometry.py sha256=DbJcN3gkZ93Gqh543-qYucoqOrhC0rIxZKWUqNVDVAY 8234
ase/test/geometry/test_geometry_derivatives.py sha256=Dci_RS7qnq9-YsAmiet34YZ7WYDTPhVZeZOVSpHfws8 5711
ase/test/geometry/test_geometry_rdf.py sha256=V7_mD3cxbgGOShe988_AY-D0ZLYgEXvEMm8f7WGl_s8 2346
ase/test/gui/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/gui/test_run.py sha256=xRAPURR9eA-YdXQfv5TMGK5sAaau0p6CduTSkPQefUw 12802
ase/test/lammpsdata/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/lammpsdata/comparison.py sha256=ke3EbB-RR5tI96SftNPNWjq0fC0ePg-Mf53m_FcMcgg 388
ase/test/lammpsdata/conftest.py sha256=iY9fRnMgFYbYvZsgAIU8CUXQD_CUqsGjm5VR_Z-fzOU 639
ase/test/lammpsdata/parse_lammps_data_file.py sha256=7BFqb2DJYlJtRJ9IGfFZrB1PJfWgpUsrSUek0w0Iypc 4946
ase/test/lammpsdata/test_lammpsdata_read.py sha256=3kyhHhTFN6KSogFTf5F4hPUw7X8SqDq2aHtRoPWGAtw 1762
ase/test/lammpsdata/test_lammpsdata_write.py sha256=zNsaTmzdFaM944hU-VgrQP7aJ6vZBjEhWYGIxqkp04g 1635
ase/test/lammpsdata/test_read_connectivity.py sha256=0U3LADXTQvPO5n4ySpVIDGT0KwTPCGT6c05zH7CCKiQ 2926
ase/test/lammpsdata/test_write_and_read.py sha256=XPYTAauoJtd2C0A16sUCZUHdrA97vCWuGqlLMpdpFto 5472
ase/test/md/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/md/test_CO2linear_Au111_langevin.py sha256=tlphfkNGAyx8dKICjUF0YKY-4VSapVy7gv1j1G1xhdU 2130
ase/test/md/test_bussi.py sha256=CpLujd3n3BBBUrzkSvrg3jAeUBpC1xopEeUCF3WEtTE 3166
ase/test/md/test_ce_curvature.py sha256=xKQOHiMaqWxdr4V01oKL-Dslv05SOeGEZocnXXoZA0U 2304
ase/test/md/test_ce_logging.py sha256=rGWEjhIYmVqdOYLILMggjPVrmdBuh9KlP8TId-ApB2s 2930
ase/test/md/test_ce_potentiostat.py sha256=O0su5IZ_dHu0BCdzC_1owBF2eGtAayUx5uiUYNOJ89E 2755
ase/test/md/test_fixrotation.py sha256=aGpbrxK-bM0_EC5zBraTsdKiBIHJEUtriTr65J57FFw 1813
ase/test/md/test_idealgas.py sha256=h3CVbKhmj1mgldaX9ZavcV7icp4nK9Je4tiOGGmiaWw 1135
ase/test/md/test_langevin_asapcompat.py sha256=dqWIDpfULgVUBiegzr9LzOYVvnf9s2B8AX2xlqU2eU0 894
ase/test/md/test_langevin_com.py sha256=3r3mJV6qhS0wxrMsRvHJSPIEQCgWJUgpeEYtq6TXQxg 1118
ase/test/md/test_langevin_switching.py sha256=uuu0lU6NLQxK6LUxJP--A4--0GLHrPvxUXasKIaKt6Y 2069
ase/test/md/test_maxwellboltzmann.py sha256=QfNu6pEPYaq66H0PiItJJtYnnHLCNZG_9woZSWMrZq8 1246
ase/test/md/test_md.py sha256=8t5lNgIuDTXJCRG38g6as_LNQFjXay4kgOsnazkOzXs 1204
ase/test/md/test_md_logger.py sha256=2xWw1awj81PrlmWAPFUYop3mpqy5dwMf8buja5uamAc 2668
ase/test/md/test_md_logger_interval.py sha256=-jOuU9lJr8VX_Apc88pMgI7eRPR3EFo0fZEUuLXJGNk 2598
ase/test/md/test_nose_hoover_chain.py sha256=p85VLtb1IV9C3ywvE31KGJbrRphkUDf_SnnMMSm5_go 2034
ase/test/md/test_nvt_npt.py sha256=thrRDYc0dpd3JQ1s9kGxFELedYlCw74gA5ASpgYnYG8 4181
ase/test/md/test_phonon_md_init.py sha256=kg1ybt7s1Wen1qoKt4IwmVNIKr3am4czYd4Z4UHDt6w 2897
ase/test/md/test_rng.py sha256=GIvaWH-LcaF9iu5gMmqQcGH8rYEF-_f0M1cVVf4YjFI 685
ase/test/md/test_velocity_distribution.py sha256=IGP8OF8Chk2iwIFfhjeW0TxCXSqPIFsk9FT_SK1pkrg 1523
ase/test/md/test_verlet_thermostats_asap.py sha256=BwWtRGjDdX6KmSqT3wwIOBFpMrm33GNyHVTZc3DeXjc 3478
ase/test/neb/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/neb/test_COCu111.py sha256=-stHPWQfjNt0C_dQiIB5e2nG-BtG_72ZdcWiHQXjZfQ 2351
ase/test/neb/test_COCu111_2.py sha256=tFC4HJAYSHLBRSgD-Oadv5VlAt6WcuhsT75emzSEdXQ 2838
ase/test/neb/test_autoneb.py sha256=vQbMz_u8oc8giA51rAVo1-St6nLh2LVEG07VnTCAi6M 2878
ase/test/neb/test_dynamic_neb.py sha256=DvMmSsRjOp0xp3x99l0JPl7e4jNRBi-79yY2rjTIa1Y 2874
ase/test/neb/test_idpp.py sha256=BUc_EuAue4nP639qfptp56X4Mz6OpePWCbitfWbI4t0 712
ase/test/neb/test_interpolate_images.py sha256=sfrURw10igAXnbFURrpCx9qA7VO-JKA2-RybqiPrzH8 2693
ase/test/neb/test_neb_tr.py sha256=ugw5S0B5_8Qcl9HlLMwElBOGQFtX8HTpQUyiKLfdWnw 2548
ase/test/neb/test_precon_neb.py sha256=oYsAmqUzmo7FOAqVOGi_FaW5aKgWPPf5RQSKRO_OKhA 9068
ase/test/neb/test_shared_calculator_neb.py sha256=R87PRJsUsntRyM9R5etbon1k7beQNbQZeBZD4BS1BGU 5028
ase/test/neighbor/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/neighbor/test_neighbor.py sha256=CQzBiT0HZAHCEcTyU-fQNFuOWRHb09Cq__PhD-4K8D8 8796
ase/test/neighbor/test_neighbor_initialization.py sha256=wCPW_tnUyXLlbbKJ87g3Ar19BZaPZhzNNaw9Xrk2Cxk 469
ase/test/neighbor/test_neighbor_kernel.py sha256=OHnerDI27vKW_W1Ru5DGDDAHYds4tHEQyoL5CAYQD2w 7959
ase/test/optimize/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/optimize/test_bad_restart.py sha256=ntXIYDWVN-Hr3o1hyBOCjn1agGlGUF4i2cqnb4gIzwQ 330
ase/test/optimize/test_cellawarebfgs.py sha256=sGbjafQuu6ssigrwJ_kRE7zW-2TU1wwIWgrSipVML9Y 5341
ase/test/optimize/test_climb_fix_internals.py sha256=jgXNWVrKyrs_jcDWcAcr4j0CFGzvqMQvYJmrOyea7Pg 2826
ase/test/optimize/test_fire.py sha256=1tvUFf8Cw89uJNmw96sIrgZIL6vIC5r47oaqgtHlpOg 897
ase/test/optimize/test_fire2.py sha256=OdYmfj1iOpSqgeXQHclr3IPD_vgLAK3yK_9jDhTtB7w 1218
ase/test/optimize/test_maxstep.py sha256=swqe4w7VIBDIMazAW99oX-os0hQiEbLxVXRYKSac1_s 713
ase/test/optimize/test_minimahop.py sha256=JruEiVhRFnOFaFXJvzGUeMZjr5Lzjng9S-kkqhQoMc0 1663
ase/test/optimize/test_nsteps.py sha256=aecDBDu5sMB7ChgSxjiq8P6il5ZfuDBV_Ue222W2tNA 669
ase/test/optimize/test_optimize_stepwise.py sha256=1p2MmJyCp4GFDGn99n0y6d-6WKDQPgYsu5rVJz8b2c8 1708
ase/test/optimize/test_optimizer_restart.py sha256=dEC6kbcCnHBhIxCUR99fkPdIWUtLzkiCRTQZ5PisB2Q 5044
ase/test/optimize/test_optimizers.py sha256=hhzosESaXXvjFg68YDrU8uaf7pdQ2g4um9mL6qUqhdI 2910
ase/test/optimize/test_replay.py sha256=YliBcFe_94ircR_Qnj20nZL4aVDO10HQXy7BzGYCJvw 1039
ase/test/precon/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/precon/test_amin.py sha256=aTdVBFcoRgDOsmCfdMg5pQ8do_n7kk4Dt2xjVDbElH8 1053
ase/test/precon/test_ff_and_precon_c60.py sha256=bkfkreLXUBkwiD6mVoCc6xWw_tj4qjuRi4dqcUmiVh0 3180
ase/test/precon/test_lbfgs.py sha256=GGNXCNaxJKgaVsIgmOfYuzskXkexYJlItwng2Ld-n_g 1649
ase/test/precon/test_precon_assembly.py sha256=a0oUQl-b90qO-84mZYKbjwvV_gjfOCeK54T-dTt91FI 3273
ase/test/precon/test_smallcell.py sha256=o6TaQNpk2w5owo7Gd_d-f1ItzHMhb1BYYhuSLRpCvEo 280
ase/test/precon/test_unitcellfilter.py sha256=IyT0Nuj9VpmthPIv2mZesVYbu8vkggVzcg5MWrDZ-W8 1024
ase/test/spacegroup/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/spacegroup/test_minerals.py sha256=ErNSCnKW_WArFcgpiZieuyQ2L79k8PClE5RM4oEzqP8 2701
ase/test/spacegroup/test_space_group_data.py sha256=4JV9GyEm6BDCPcwuA4-_U6RrapKzGfJPGIvCw3E3PTw 1604
ase/test/spacegroup/test_spacegroup.py sha256=90LZQdNLSa5GcDsC8yFrP_75BA9kkqLm_sKVKILUfxU 3033
ase/test/spacegroup/test_spacegroup_crystal.py sha256=a4_A8YdJgqAaJ25xOMsELlo12Gh7R5XOb4NTced_MAE 2290
ase/test/spacegroup/test_spacegroup_utils.py sha256=S1nxSGB-CEb3_r3fmpKfly_MWdAkUXIp1bCpaLjR-HA 3629
ase/test/spectrum/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/spectrum/test_doscollection.py sha256=RxaVPcOkMPh28VsD5AfiMCIAnLj_J4Lea7YzAJ9syRc 17169
ase/test/spectrum/test_dosdata.py sha256=hvGvQPqUVaxPJSsis2eEPza09uSh-qtlcct_Pr8GCIQ 14840
ase/test/standardization/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/standardization/test_properties.py sha256=zIEpPJvNjp-I80Lhrk8t__QWnBz4zxcr8g3JYfubiTw 499
ase/test/testdata/172_defs.par sha256=Kuq1RjNq6P7P1jzLx4Vd6qUb0w4v1_cIAJvUo-bPceQ 680
ase/test/testdata/README.md sha256=XJtThn1I1X1Wnkqptx3thBPFCwkRVyVhfD1lxreZUHo 415
ase/test/testdata/gpaw_expected_text_output sha256=8Vt3QwmYsG3M_ldO363zTBMqxawRPOtHFBZxI4Q6zo8 11658
ase/test/testdata/lammpsdata_input.data sha256=XJyyUQtgkpJejCmk1Vf4UxCwu7TJmZLaUOEgj3e2PHM 1726
ase/test/testdata/lammpslib_simple_input.data sha256=mF0oaBNsJwxTMfNUgoQ2PQ8_sqi1D8w7WYNh39fYpQc 1788
ase/test/testdata/large_atoms.magres sha256=mjDT4SpIwQXy3f3UCFtaCDMc7NBdRJqJ2sCe91KSTHs 508498
ase/test/testdata/nomad-images.nomad-json sha256=4shAQFJPlu5oL_IiS8Ciu1IfetQfnbK6E_6Xsx4O2Jw 11818
ase/test/testdata/onetep_include.dat sha256=QhS2cmpf_9mLex8BWYyfANQgac5Nx_VmeXu2-1nEiZo 96
ase/test/testdata/onetep_include_nested.dat sha256=QhS2cmpf_9mLex8BWYyfANQgac5Nx_VmeXu2-1nEiZo 96
ase/test/testdata/opls_structure_ext.xyz sha256=mU2mLpfGGqsuH8dGYDMqqJAdoiBwrSDm3avR0Txqvr4 381
ase/test/testdata/qbox_04_md_ntc.reference.xml sha256=Hvq-u7-cpzCouWJeZxLozcsRpulXqwqvG1waqNeS9RE 36621
ase/test/testdata/qbox_test.xml sha256=-UFqGg_yeIJ_CTnixdrN_aJiDbWhtuKOsUjZaoJVuSA 21586
ase/test/testdata/rotated_bz.png sha256=imlEK-iQJ1W0xuFFvy5RAVnhXVE5ndYwwDzzKfZDZyE 19692
ase/test/testdata/aims/DFPT_dielectric.out sha256=XK2icLrdjqr0F6XJ3qtv34VheC2sDf0lZxfb004ZcNs 42383
ase/test/testdata/aims/issue_3345_spin_md_light.out sha256=AY0MNKnzXQOU7LE1F8fVs0akQSIT4sZLFBaI4_gE5zE 38783
ase/test/testdata/aims/md.out sha256=n5IMA3hUD8Q-dYSUbW1g1VGrhQXGllG0aN_Sxid1wH4 70784
ase/test/testdata/aims/numerical_stress.out sha256=S_cEc77bolgaILNYlQQfN6_95SaCsvprlgd5b43tdZ8 5338
ase/test/testdata/aims/polarization.out sha256=Qef0XpMlsv_bBXFfkoO7txIfM1XSg-C-9J5kZyA4NyM 2502
ase/test/testdata/aims/preamble_fail.out sha256=ZRGGfOamtfhOZqnmOZlAUUVKuzFcWCosubIBhtbFaUg 37
ase/test/testdata/aims/relax.out sha256=cqEy-4G0FNSAdLmQWQ2SRMtJnAN1OIQWfcOsMPMmOKg 96115
ase/test/testdata/aims/singlepoint.out sha256=ynK9RDPdC3jzvqEg_OOSmtUQFIqBGQzPbciZ_tqP_fs 21877
ase/test/testdata/aims/socket.out sha256=iJo4ERZLEj4l_wXrfOtWI87eVDPBMfqxqSc2sfh4fl8 51093
ase/test/testdata/castep/md.castep sha256=MrA106789x0dkr1krqT41Uq4NflOJqsp2yGCyCXsS7E 38983
ase/test/testdata/io/eon/multi.con sha256=8GpMyBl3P_Yo9rarirZ8hvslWxKhbN5uz3KBGiqj3Kc 12880
ase/test/testdata/io/eon/single.con sha256=otAMkSdm9GGdVeODfCUgB03l1bIS9kveSVHUFWXCLyo 383
ase/test/testdata/minerals/cod_1010930.cif sha256=htuiyqXbRxkNfYra2aJJwzx6grVLjaBKRXwjnBqx2t8 2476
ase/test/testdata/minerals/cod_1010995.cif sha256=piuoCcrURsLnrcEeAR9G4SLwyIploDVthTs09LrwpME 3410
ase/test/testdata/minerals/cod_9001665.cif sha256=0V4haED5KmXDBudjZu1AFOOP9X4a6FEoLk6wgVKr0Mo 3337
ase/test/testdata/minerals/cod_9004112.cif sha256=TGIRca-_Hi7-w_gQzHt9rNzqO_i5-8G0eFqJuvM0t_0 2419
ase/test/testdata/minerals/cod_9004218.cif sha256=OWIGrjJypOrZa6QlLStYiQ7Oa-yPR5CsfFzW_-qceec 2395
ase/test/testdata/minerals/cod_9007640.cif sha256=8_gPXfMcXlYxJt_EpsDG3DQNINnZGX-VYhs7rrQkSWQ 2421
ase/test/testdata/minerals/cod_9007661.cif sha256=86j9LL1pkMs8gdrdVM0Q8xj7vMBlAPaOz2siX4KdVxc 2852
ase/test/testdata/minerals/cod_9017338.cif sha256=xKiXziz8cmmzvlykwixD_gxnlRsLHoNa3E-1mgvztgY 2715
ase/test/testdata/nwchem/snippet_multipole_7.0.2-gcc.nwo sha256=r4oa-GsnXVpIm5Z7sFmQIv9mA-V6lYk24TD4UNh1X40 1296
ase/test/testdata/nwchem/snippet_multipole_7.0.2-intel.nwo sha256=kdqkS_x5KHjYovL3zTwpQj3Qs5jfz6T9gbSFB0S0VJk 1301
ase/test/testdata/octopus/linear_response_02-h2o_pol_lr.01_h2o_gs_info sha256=IJm5r_kd4on377WnIetA-1iZUIQU9XaMRFDUw_kx07A 3082
ase/test/testdata/octopus/periodic_systems_03-sodium_chain.02-unocc_eigenvalues sha256=4Lf8q0Gf-iDQL3Vfy9Zq2xIj5ZhiMwMtfuS1AnG0ngo 1086
ase/test/testdata/octopus/periodic_systems_25-Fe_polarized.01-gs_info sha256=ktXS-p2vF_s6EdO8lsxI1jQr_TZ8oYMCMMducQYKJTE 11033
ase/test/testdata/octopus/periodic_systems_30-stress.05-output_scf_info sha256=gfk8i3Y9ITxeTLultJVkPK0ScSN0i0l7PqN4xTGovWo 6971
ase/test/testdata/siesta/siesta.EIG sha256=oWa3Rls2cH5qTkMOKq_gkrbuGGTwSnJOZ8ZP1ed31xM 616
ase/test/testdata/vasp/OUTCAR_example_1 sha256=otT4NYC5rAcMfN8p9RtMIwZIlB_rIDAS4YcNMscncA4 161682
ase/test/testdata/vasp/POSCAR_example_1 sha256=8Cd-iO81pFIKx3oEJATG2VFAoblVdVFqoxKIEbl0f_Y 1381
ase/test/testdata/vasp/convergence_OUTCAR_n_y sha256=7cbkdsfAszeAUAIazG0weUOvm2C6PhKhz00MJ0YLP8g 483
ase/test/testdata/vasp/convergence_OUTCAR_y_n sha256=a8ZTO9xlA7aYYeZY1wZXBGzAAzQTz40R8HSuCwKhmN8 549
ase/test/testdata/vasp/convergence_OUTCAR_y_y sha256=jcTs6ZlcwODqIpmzgbdM92QDn1Lsn2kAjlSZxj24YhE 747
ase/test/testdata/vasp/vasprun_dfpt.xml sha256=4eysJKb-h8xh0s6QO8_3QlgRhVtdgQ-6Iz57gjcHajs 67418
ase/test/testdata/vasp/Li/CHG sha256=cwM0JIQcO1L5X68hpiopfidSNNGFxoDq7HpULL1Pn-k 12349
ase/test/transport/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/transport/test_transport_calculator.py sha256=5ACZR1AcRhzowPcDWRq4sPmsWsrwbxinbjnqTT-zYes 2511
ase/test/vibrations/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/vibrations/test_albrecht.py sha256=75N_ESF3gMYdnFte5HtVb7xrdC9BWO_ja1a83VUktEk 2644
ase/test/vibrations/test_bond_polarizability_raman.py sha256=2w29Yobo758R6-MIoGGwvQoCtYNPJ6hFCmOOHFsFzbE 2662
ase/test/vibrations/test_combine.py sha256=44BpKM4tFvcT7dpRL27hcSHt4tkS7IMZMrNsJE2biEg 1239
ase/test/vibrations/test_folding.py sha256=Orgud2x9qARtChG2mw7cIVa4KW-Nqh-sbkYj5RyhuCE 702
ase/test/vibrations/test_franck_condon.py sha256=gH3FoTHa2-6a1FGCqRuIMJDJzOOUP6EnsjkhQW7DwDE 4432
ase/test/vibrations/test_pickle2json.py sha256=CHKZYUDLb6HM4bvey7spz6YxoHVNftu7evZnL3uwTh8 1239
ase/test/vibrations/test_placzek.py sha256=QY3mpZpo1N0UDwlTFcpizP9memlN-m9kbUBQ-JPUUS8 3996
ase/test/vibrations/test_profeta_albrecht.py sha256=bt4YVAnsn91xBS_s_CmJVTsSaUj1PnKW-uUWCnpeGRU 2183
ase/test/vibrations/test_vib.py sha256=mwh7Zc974fA-m2RNBfjl-gZYSUjl4HTS-rF7Vmz4Gj8 23130
ase/test/vibrations/test_vibrations_example.py sha256=6jNfOT4WJ3p42GUGcRSyKMocKy8qyFpeJXdyojhsiwc 837
ase/transport/__init__.py sha256=3pcM4oNGeAgHEIMQnm5o73b1l53Jvs-RlF1jbmW7Giw 80
ase/transport/calculators.py sha256=HoTp3BxM_UajrgeaLDj43Ei7IKbA6NBJhaqVK1CSjhQ 17266
ase/transport/greenfunction.py sha256=9JTZez7prx1N8PvzeqppFmlZe6KtLlSa2qV93SkaOWM 2100
ase/transport/selfenergy.py sha256=pYPOSL6PoRT0Zg_pbB94jLV8ggbCADXqfDaijixbAa8 2813
ase/transport/stm.py sha256=k6GOZzOceY57A-8zjiCUK4Cf-yQ22pXFbPsjtV6t5Wg 7495
ase/transport/tools.py sha256=6bwqjALzgLzKipoFnolAbq7SPwMhzAKPSA6w1oYGuaU 1978
ase/utils/__init__.py sha256=9sSZpviJRBhsDWG6rJ5suLe4gUkS3Yp83CN5-Mfq2nI 21075
ase/utils/abc.py sha256=-xfohHloZ7XiBbBGM-0HSTeEC1ZRIw-fYIE1pVXZ_Ds 783
ase/utils/arraywrapper.py sha256=gekDkST0iYvVvvt2bzSWRsiQali5-7wGxPPLVbLaUFM 3270
ase/utils/build_web_page.py sha256=GljDkm8iHmnt0FmKM2CUXz4UPilW1XWWqvKdtgipVpw 1553
ase/utils/cext.py sha256=8TFqoRn8nl2y7wnugZHmr9JAVRT6-JQXCgbqMK04foQ 519
ase/utils/checkimports.py sha256=KYrjsec1jeSSmjd6TF5VezDhlLtRV3qSiz8OAiZfgKQ 3947
ase/utils/cube.py sha256=-iEvubIWfuBm5jvVfy4Qi9IM-YOD1GsgW-BJBdCxbxU 3532
ase/utils/deltacodesdft.py sha256=zZWhlXSTJDAl6ssGqT-cTOLeEHZAm7fSWbnsCqM2FEQ 1033
ase/utils/ff.py sha256=wfsCyuFzrcPZiIpMQJEymyFdovXiNDtYpkYaz_wMBrg 26592
ase/utils/filecache.py sha256=_1HtS99FSBDS567ABCNovnqjq0hhGa6HHSvCcn_dMgM 7767
ase/utils/forcecurve.py sha256=8oPoY5XmsLNo_ERKKfB9rimM9liulw4C_omJjehcPB4 6049
ase/utils/linesearch.py sha256=_oLu51LUcfuORVhEdJBJv1ovGhzA9wlYa-60tyHxb_E 14538
ase/utils/linesearcharmijo.py sha256=X-f_2lJauCIQw6GoQjZwNY9A8LcxK9o5BMUBJQIPBQY 17592
ase/utils/newrelease.py sha256=kHV0ohXjUIiMYY-UtcT4__EnrAY_qQbglZQLM5vg5LU 6378
ase/utils/parsemath.py sha256=ce-ZU3p7ENOuK9FwbhHdZUqj9XbNNQvSihGiz5tPRwM 5434
ase/utils/plotting.py sha256=YPmhtUZQA3my_ITikCrXFdl5GGXzJf_2n1r1w_azMEI 1128
ase/utils/plugins.py sha256=P5DOPD8IE-tU8zJItcbbRQVMd6h4pWHezLP_VhqrvT0 600
ase/utils/ptable.py sha256=yKYrAOnfcyYsSJqCf-Fp9-FuHK9XcolhAMX6dq7Q7w4 887
ase/utils/sphinx.py sha256=wbHTazZz-eNmf91PSMAQlEixlnNb9lXLL5c7zmI0Um8 6580
ase/utils/structure_comparator.py sha256=QhYtviKQ7WXz8Ul-hkiPagPM9esqn6lVq4AJyzPLXF8 23221
ase/utils/timing.py sha256=vYB3MGEuAVtRFEqwAaW9XP8hiZGfoHleyehOPqQwluc 5133
ase/utils/xrdebye.py sha256=TclvNLxQFgTKsvDK_7K6_geetTzLl_wzjESPIxqED64 10013
ase/vibrations/__init__.py sha256=578nhlY9vvtchYpGcQGbb95SUwGo5N0rvbBY6GgnwAM 197
ase/vibrations/albrecht.py sha256=yGGPKsXgDLH5pB2YvR3MfrRmSOM2CufyJ5M1RMoO5xo 17188
ase/vibrations/data.py sha256=y01kuQ-8SUWTOa34d5zftZsyZj-4_KVboGY78MDUYmw 23277
ase/vibrations/franck_condon.py sha256=eULCWzO5Zy8ggS70FoSAm1574346JBLrqRfRoHKnj5k 13126
ase/vibrations/infrared.py sha256=kVOaSUQ_moguXPWKCDYOoFRUmQbvNbp_q3WiiG9JCyk 12793
ase/vibrations/pickle2json.py sha256=J4WZ5nQFuoFL_sE3J5kvplpd7RRAMGcDBtQ-Tfw2zCE 1491
ase/vibrations/placzek.py sha256=nkmdALRyIrCTZS-PCj7zKk5vBPWX26PoN5YT67xPbX8 5749
ase/vibrations/raman.py sha256=chI1a6HlSKloRr7cv9eIZbpQR3bEp4-vQ2O5h4xbZvg 12864
ase/vibrations/resonant_raman.py sha256=-Hew_DTTVGzWiS-_0r8Ni5zjgfD5rX4DQlIhHogvaS8 21426
ase/vibrations/vibrations.py sha256=gY96YO9bRV0Sk_oSzghgxLA5lrkdYIpfZv6hcgIYfFk 20624
ase/visualize/__init__.py sha256=ZK7sTmGHYRws7ljC_6bYeiULy4ya4NacwKaZLEm2buc 545
ase/visualize/mlab.py sha256=BxpbMkQmK2ZaHnLLRg230GO2E18Wh_rGh7KkEuRC8Dk 4618
ase/visualize/ngl.py sha256=f_D9mauE_qgKEyr1yDlZJ2A8jTvK6Y_lOpjf52qMO6M 4349
ase/visualize/paraview_script.py sha256=ZSBqDrQD-i6lt-ey9UGKSkqGMDUi1XNR-XbM5v_1XfA 929
ase/visualize/plot.py sha256=2cVzRGUyldncMj6ZD8RI5V2eaXgdM8NYA6em297x0BY 2671
ase/visualize/sage.py sha256=QFtztEieubdD_Y3a5Ukl8U3gQBC8cSnlmuxAPrKAuoc 954
ase/visualize/viewers.py sha256=eClhECHtVN7ZqiBMXyb4mkbYCndGlVDPX3SfbQreh2I 7311
ase/visualize/x3d.py sha256=bKRsTMoxLrIhanY_ssGSo7_wvVxVJjRwCUR_BuOfWL0 768
ase-3.24.0.dist-info/COPYING sha256=gXf5dRMhNSbfLPYYTY_5hsZ1r7UU1OaKQEAQUhuIBkM 18092
ase-3.24.0.dist-info/COPYING.LESSER sha256=3GJlINzVOiL3J68-5Cx3DlbJemT-OtsGN5nYqwMv5VE 26530
ase-3.24.0.dist-info/LICENSE sha256=IddSAlCFfSSt8Pv4DgHJZti64qLXl_FMwDi68jfP5Zk 608
ase-3.24.0.dist-info/METADATA sha256=TSD-ikDXi0sxmC8ernnUj_WVSx25cmOKobEunV6XV74 3934
ase-3.24.0.dist-info/WHEEL sha256=PZUExdf71Ui_so67QXpySuHtCi3-J3wvF4ORK6k_S8U 91
ase-3.24.0.dist-info/entry_points.txt sha256=TBnAzJndz80ntnb4KJyIydUjhHbXr3zncULWGlURoy4 42
ase-3.24.0.dist-info/top_level.txt sha256=5g9TnxOI8fLqHg8jHSmebm4dVFAjEA30k95UTEaA-5c 4
ase-3.24.0.dist-info/RECORD

top_level.txt

ase

entry_points.txt

ase = ase.cli.main:main