chmpy

View on PyPIReverse Dependencies (0)

1.1.6 chmpy-1.1.6-cp313-cp313-manylinux_2_17_x86_64.manylinux2014_x86_64.whl
chmpy-1.1.6-cp313-cp313-manylinux_2_5_i686.manylinux1_i686.manylinux_2_17_i686.manylinux2014_i686.whl
chmpy-1.1.6-cp313-cp313-win_amd64.whl
chmpy-1.1.6-cp313-cp313-win32.whl
chmpy-1.1.6-cp313-cp313-macosx_10_13_universal2.whl
chmpy-1.1.6-cp313-cp313-musllinux_1_2_x86_64.whl
chmpy-1.1.6-cp313-cp313-musllinux_1_2_i686.whl
chmpy-1.1.6-cp313-cp313-macosx_11_0_arm64.whl
chmpy-1.1.6-cp312-cp312-manylinux_2_17_x86_64.manylinux2014_x86_64.whl
chmpy-1.1.6-cp312-cp312-manylinux_2_5_i686.manylinux1_i686.manylinux_2_17_i686.manylinux2014_i686.whl
chmpy-1.1.6-cp312-cp312-win_amd64.whl
chmpy-1.1.6-cp312-cp312-win32.whl
chmpy-1.1.6-cp312-cp312-macosx_10_13_universal2.whl
chmpy-1.1.6-cp312-cp312-musllinux_1_2_x86_64.whl
chmpy-1.1.6-cp312-cp312-musllinux_1_2_i686.whl
chmpy-1.1.6-cp312-cp312-macosx_11_0_arm64.whl
chmpy-1.1.6-cp311-cp311-manylinux_2_17_x86_64.manylinux2014_x86_64.whl
chmpy-1.1.6-cp311-cp311-manylinux_2_5_i686.manylinux1_i686.manylinux_2_17_i686.manylinux2014_i686.whl
chmpy-1.1.6-cp311-cp311-win_amd64.whl
chmpy-1.1.6-cp311-cp311-win32.whl
chmpy-1.1.6-cp311-cp311-macosx_10_9_universal2.whl
chmpy-1.1.6-cp311-cp311-musllinux_1_2_x86_64.whl
chmpy-1.1.6-cp311-cp311-musllinux_1_2_i686.whl
chmpy-1.1.6-cp311-cp311-macosx_11_0_arm64.whl
chmpy-1.1.6-cp310-cp310-manylinux_2_17_x86_64.manylinux2014_x86_64.whl
chmpy-1.1.6-cp310-cp310-manylinux_2_5_i686.manylinux1_i686.manylinux_2_17_i686.manylinux2014_i686.whl
chmpy-1.1.6-cp310-cp310-win_amd64.whl
chmpy-1.1.6-cp310-cp310-win32.whl
chmpy-1.1.6-cp310-cp310-macosx_10_9_universal2.whl
chmpy-1.1.6-cp310-cp310-musllinux_1_2_x86_64.whl
chmpy-1.1.6-cp310-cp310-musllinux_1_2_i686.whl
chmpy-1.1.6-cp310-cp310-macosx_11_0_arm64.whl

Wheel Details

Project: chmpy
Version: 1.1.6
Filename: chmpy-1.1.6-cp310-cp310-macosx_11_0_arm64.whl
Download: [link]
Size: 4863375
MD5: 0069f88c31f2cae77f57a128ac4eb21c
SHA256: 0fc261cb4bd23689bc29b19f0fc6e7f99b9dc39f8506dd61280cb71fb1823dff
Uploaded: 2024-11-16 08:17:19 +0000

dist-info

METADATA

Metadata-Version: 2.1
Name: chmpy
Version: 1.1.6
Summary: Molecules, crystals, promolecule and Hirshfeld surfaces using python.
Author-Email: Peter Spackman <peterspackman[at]fastmail.com>
Project-Url: homepage, https://github.com/peterspackman/chmpy
Project-Url: repository, https://github.com/peterspackman/chmpy
Project-Url: documentation, https://peterspackman.github.io/chmpy/
License: Code under the chmpy/mc subdirectory contains some code modified from the scikit-image project, subject to the following license: Copyright (C) 2019, the scikit-image team All rights reserved. Redistribution and use in source and binary forms, with or without modification, are permitted provided that the following conditions are met: 1. Redistributions of source code must retain the above copyright notice, this list of conditions and the following disclaimer. 2. Redistributions in binary form must reproduce the above copyright notice, this list of conditions and the following disclaimer in the documentation and/or other materials provided with the distribution. 3. Neither the name of skimage nor the names of its contributors may be used to endorse or promote products derived from this software without specific prior written permission. THIS SOFTWARE IS PROVIDED BY THE AUTHOR AS IS AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE AUTHOR BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE), ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. All other code is subject to the GPLv3. If you wish to distribute some of this code in a commercial program (i.e. the GPLv3 is not suitable for your purposes) then feel free to contact me. Copyright (C) 2021, Peter R. Spackman This program is free software: you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 of the License, or (at your option) any later version. This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details. You should have received a copy of the GNU Public License along with this program. If not, see <https://www.gnu.org/licenses/>.
Requires-Python: >=3.10
Requires-Dist: numpy (>=2.1.2)
Requires-Dist: scipy (>=1.14.1)
Requires-Dist: trimesh (>=4.5.0)
Requires-Dist: matplotlib (>=3.9.2)
Requires-Dist: seaborn (>=0.13.2)
Requires-Dist: Jinja2 (>=3.1.2)
Requires-Dist: mkdocs; extra == "docs"
Requires-Dist: mkdocs-material; extra == "docs"
Requires-Dist: mkdocstrings; extra == "docs"
Requires-Dist: mkdocstrings-python; extra == "docs"
Requires-Dist: mkdocs-gen-files; extra == "docs"
Requires-Dist: mkdocs-literate-nav; extra == "docs"
Requires-Dist: graph-tool; extra == "graph"
Provides-Extra: docs
Provides-Extra: graph
Description-Content-Type: text/markdown
License-File: LICENSE.txt
[Description omitted; length: 3691 characters]

WHEEL

Wheel-Version: 1.0
Generator: setuptools (75.5.0)
Root-Is-Purelib: false
Tag: cp310-cp310-macosx_11_0_arm64

RECORD

Path Digest Size
chmpy/__init__.py sha256=CeY7_7gkrVwpqoQZqUYXiRGbt3byyrd5C5zlJo6QFBU 244
chmpy/surface.py sha256=tBG2NWHxp9dOvYfhFM_KrMl_e_q8PaLESDIqdeaQBtI 5790
chmpy/cmd/convert.py sha256=QIur28s-kDB62gavoh4Kl86AYB8SALbIQA8XczCBZCI 1433
chmpy/cmd/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
chmpy/shape/sht.py sha256=1DvfvZanLflF7bY3lYU2LHfqphiTg5S5vSxev0L0A3E 22200
chmpy/shape/convex_hull.py sha256=0EswnD5dBeVRFTAmNKfrFGXlnNY71oNY3_p5rhlB58M 2387
chmpy/shape/__init__.py sha256=6IfrtIhDO5ONLB5Lso8niqH7w9BZnQx44Y5wuEYA0lA 169
chmpy/shape/_invariants.cpython-310-darwin.so sha256=kStQRPtjQyt8nu8cU5YaGrDRjd8ePh3v-fL2GNFQB_g 204064
chmpy/shape/_sht.pyx sha256=UOv7q9oJSEm25b70er3DL1LYwNP0lcSpyDrkrnLj60o 8278
chmpy/shape/_invariants.pyx sha256=2FAZTa9bY4Zxa-vAcD6u0GKmn-QV9Vn7ZPXho3W-qfo 7696
chmpy/shape/shape_descriptors.py sha256=8bbuDVhKq_zzoRQQ1TRF1RADZetfmWHvsiXIWgGaK0U 8903
chmpy/shape/reconstruct.py sha256=ETJXQG1lTeNxLxadKMTLle86PRSNb0UR-S2l8IvBLfM 3442
chmpy/shape/_sht.cpython-310-darwin.so sha256=o4zhM2J-1N5TmwZ-0G0ajLUiY0-VgnZxY1VHywc8zBY 223608
chmpy/shape/assoc_legendre.py sha256=OzmQ7tg8VuaRQYL7iIHNqAujJXCa-mnGedUMizf2hFI 1834
chmpy/core/dimer.py sha256=S-For4SbHgQzPgeBGKnbscLtSg-sws74kqRjIIdS_Zc 4792
chmpy/core/molecule.py sha256=sQnzEJbC8Qx-BKG9mFE6tHIKPaADuXs7SHyzlnpe5Tw 42842
chmpy/core/__init__.py sha256=YLkb5JHTbZzlJp0T-oZfqJo81_Z76KGDV73by1qncW0 95
chmpy/core/element.py sha256=5t3ou4z7Gd8iRI5YsyeKZ6hh7RysHenxGBCP3sFXejo 16200
chmpy/core/wolf.py sha256=_EK4aLclvbwNx-diiV131Zfx3A85u5zwii4bFujizoA 1921
chmpy/util/color.py sha256=LiFP_6kRIjIT03F4sANkn08aoI7s852bVBWFx4dGkzY 1778
chmpy/util/util.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
chmpy/util/num.py sha256=KVZGEIALmjYST8uFrK4KcZ3MWxWKOA0ppis0Jq3FKV4 7002
chmpy/util/exe.py sha256=CEKYfrqxJrji8aRoexvQTFhi7PCUHoWF42abAhcU8Z4 955
chmpy/util/__init__.py sha256=9V8U4joa2X3g5vw5-Vc5FxuoQN2Qx37W8uy9ed-i_WM 61
chmpy/util/mesh.py sha256=E9ys6fj1Jm9isL0VDHTR0TVqe5Yo-m1QV2spKX1xjss 2786
chmpy/util/unit.py sha256=vo-wU7JEzz-XlXr0LnK40FqWSLIcy2kLwkm3o_t4Fkc 2679
chmpy/util/text.py sha256=phkx1VW9L6uWVnOIYMMzQfmmXZmLzosyX49uDThF8bE 2085
chmpy/util/dict.py sha256=3Sjn9eMnTxGHKc6rLZrGfetvuOF8kkbHjrqAfoZgBGw 2066
chmpy/util/path.py sha256=FF63AxMvY82rWTnztIrTALqFZbY0HmPE3tDikRDfBzw 2724
chmpy/fmt/tmol.py sha256=v02o6GzAyIUYVtJ02bIYfQNTudcMIQ32QmjqP-CS3nI 1798
chmpy/fmt/gen.py sha256=OhmTBXS-wF1_Da83I6BMrWphq6x7-H2U9J2MMBRnmvI 1944
chmpy/fmt/nwchem.py sha256=fYlEk4sAtbj-jNvpp-6C0_FpV0YwdM96ArKnX-6wuJw 914
chmpy/fmt/mol2.py sha256=XckooKVK89sRYaU00GYP7RfuGO_hH8W44MhJ7zFH4jI 3208
chmpy/fmt/ascii.py sha256=aXVF114caUjAJrmNIRo0JLkZnC6qn9B6S6XD8dZF4eE 1755
chmpy/fmt/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
chmpy/fmt/xyz_file.py sha256=tURUgmuEkp8YF8VDr8lFcagPCKG3P83VIyXW7qmsya0 3162
chmpy/fmt/gmf.py sha256=RtM8rwYrneGg6CEqcGDYaVcU3VjwjZeHWxO_A357gI0 833
chmpy/fmt/grd.py sha256=OnODkr6Kaxm2ItF1Am6pfz4qSG5Z4u7o3LSW6xVyOwU 862
chmpy/fmt/pdb.py sha256=r_cEgwGSv3DpNyE_yECrCbiqWkSOKTpo9V9McgLCKAM 3489
chmpy/fmt/sdf.py sha256=i1C2_QgRBrfplMUWsgkctMgfBo5WT71LK5A8vZpHk_A 7541
chmpy/fmt/smiles.py sha256=kbpC5ZeJIJXVJxPlaUcBsfrFhfmgMk98Pi-TnBZjm7g 3966
chmpy/fmt/cube.py sha256=3F7l3Vobnf7g4Di8k7WyesECy1tbysow2JymKphHUOU 3512
chmpy/fmt/fchk.py sha256=p64x1SeAAOe9S0VH41x__bS5CMU2BiArPtIg3TIRJUg 2141
chmpy/fmt/crystal17.py sha256=kICzHmGk64zw7UlapGczFIJLaxySB2i_CHwBdUUBpIo 3103
chmpy/fmt/gulp.py sha256=uhqcys4VtDTeCEZfBuZBei-WqWo_oD8P9WDkLqjjfJs 2886
chmpy/fmt/gaussian_log.py sha256=QhQNuh-nDn2PzR7HyRwe7Ht39SQTP_6O8omZHjL8bDY 4734
chmpy/fmt/cif.py sha256=nOiF7rQdtR0WpPIxIy6pp-fEDjz5V4KBY1eYVUgB6Bg 10869
chmpy/fmt/shelx.py sha256=LJScmCuxA_WQUe-I6fJlji2sHW28Cwvf_Ld3viQ6qQk 3851
chmpy/fmt/xtb.py sha256=WAq1z2dVooSigMoOGObY62Gnfvl9UHN7p-kiRjqjMUw 2429
chmpy/fmt/vasp.py sha256=2nmysei9LRNZZRUV1dusvUA_P-_m86507Clc6LzVjgI 910
chmpy/ext/elastic_tensor.py sha256=RwcH-iVJrKNaWNkMCiFfyYGhOEuKKzsPGeEwhq-ohSw 9902
chmpy/ext/crystal.py sha256=d4KXAe8M7uPFrCqMlmSa-vgV3Ff0gY1957h_DlWRZqI 2395
chmpy/ext/excitations.py sha256=33ekdeizPf5XptsikN-rwu0CFRrDHTYJA_dPBDdUnYk 1461
chmpy/ext/traj.py sha256=lBgY5NO6eKPnFFNNi4wLYe2e3DwvWLpRTSgx4Vpunz0 1011
chmpy/ext/cosmo.py sha256=RajUEEjYpv1nRnCaGSSDTKtDqhfx-fCznATHYLujIX0 3124
chmpy/ext/charges.py sha256=GD_tYl7mz65Npaw7hoxJdfAvvqQjKwwuCBnCDA2tlhI 1796
chmpy/ext/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
chmpy/ext/solvation_parameters.py sha256=0ZoyTjSXzURrHvMO14rSbhiGD6HGI7BOXiR_mHLXu2c 5248
chmpy/ext/cx.py sha256=1TVbUz9i3kUudP2-cyEjwRSPk1UWkH0gSEnLCmpEQSE 5756
chmpy/ext/vasp.py sha256=8kGJ4rEObGw6cN9rsNf_yz5GObop5B-DNzpTebJw0kw 2496
chmpy/tests/__init__.py sha256=BWT34tMP_yH4-t3s6gaoW4ZQpuLMAVAtJ4bOtg_dBV0 211
chmpy/tests/shape/test_shape_descriptors.py sha256=Bm4x2m0lycSWPw7c66CmI3y2AiOVJci_rzKh97k9P_U 1246
chmpy/tests/shape/test_sht.py sha256=cFvLh-VF9PeNLqogMNl5zwNGPU_IjTJOraEfyEztLlQ 10282
chmpy/tests/shape/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
chmpy/tests/promolecule/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
chmpy/tests/promolecule/test_density.py sha256=UTNWJQ4xtkTFxTmL2aegOwLv6Ev14XUSlil69rlEo5g 3962
chmpy/tests/promolecule/test_surface.py sha256=f-fCEnmR94BIyCAjnT6tobIw8v_3BpyBhbcI2Y5x63E 986
chmpy/tests/core/test_element.py sha256=heQtNnWjRH4O-abJlwI0fSmJh7nxjRYZcyI9SNZ9ihE 2187
chmpy/tests/core/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
chmpy/tests/core/test_molecule.py sha256=idS1UhmOUgH1BRJZ2Be8UcqDM7zy5rUJa0ZhOyJLR6I 2844
chmpy/tests/fmt/test_smiles.py sha256=gdeTjW9Paa_ji0Mg5Kd4mN53GV3Y_GJ4SQ_aYhfT2Vc 638
chmpy/tests/fmt/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
chmpy/tests/fmt/test_gen.py sha256=UPqUKjPICxBM1etkrIsJQwR1va88DO4u3lzXfN1zfbc 682
chmpy/tests/ext/test_eem.py sha256=LiIP2EQz3JIAQfx8EON8jR2Elq3sASv_QgaMHGeCho4 451
chmpy/tests/ext/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
chmpy/tests/ext/test_elastic_tensor.py sha256=cz4g-UV2TYpf_3e3bMRgyP2qgJzEaPjOqI55y9F_BZ8 828
chmpy/tests/sampling/test_quasirandom.py sha256=_NYZK-429Gb7EiemLMocajywLhcPsUTpG2NLeHoPVwA 1092
chmpy/tests/crystal/test_crystal.py sha256=brdl7ZZqYKu3WPpwdotvyBc2C90rlsAY1IgSfTme0YI 9594
chmpy/tests/crystal/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
chmpy/tests/crystal/test_unit_cell.py sha256=4PFJt4TlPzM5g7ZqosHy6uIwk0_cVyH6W0I-b6HP4Cg 2826
chmpy/tests/crystal/test_wulff.py sha256=uuT37mo5W2H6OvazLp0ydmeDbT409_-kBFo0RvJ8dpk 2138
chmpy/tests/crystal/test_asymmetric_unit.py sha256=R1cqNXj4q5pRW8WRvvm5pIu0D9FJe99YcEvnfCMKixc 4045
chmpy/tests/crystal/test_space_group.py sha256=pISjNGb4cau16pbKrY0chCqeFFtDtVzm5MwXo5IpV5c 5634
chmpy/sampling/__init__.py sha256=KF2XUc79Zwr-jB8rKlHaD42RqSEOwVgwDDKVnF1Ji3o 1405
chmpy/sampling/_sobol.cpython-310-darwin.so sha256=MJfvyhs2sbY-5qXBbEMbgt08mObT0t4NU98LSI3V2iE 221952
chmpy/sampling/_lds.pyx sha256=YbZEReUdEHS4KgmLSSonpZZnAj6in7qxvKs34K75NyE 2314
chmpy/sampling/_sobol_parameters.npz sha256=vCLPY6qONZ_2Uhyuj3wHEaM0nd7wUfDj4Vk5L6ntd6k 711529
chmpy/sampling/_sobol.pyx sha256=tBJsvJ2LT0nMkCaZgCG3dzKURRMuj3CZr3qEMdnda0A 7585
chmpy/sampling/_lds.cpython-310-darwin.so sha256=sGWhZD9YYXEl1QV_janfqeksHJColgI0IVvFAmQX7i0 204888
chmpy/crystal/unit_cell.py sha256=ibzA8lH__tXyejlIY380EhyRTFwFKn3f_pMGe9Hmjdk 20265
chmpy/crystal/powder.py sha256=u46YIxmjB4SCeLxL-2jdQFR-F-0DQIqrj74-399JJQo 1348
chmpy/crystal/crystal.py sha256=ytAEUcmQUn4OZKy1-s6VhmFkGPYzkeHxi-uxLKinqNY 81678
chmpy/crystal/wulff.py sha256=4Oijet2mAu4qfHvLoxljVLOHXxn4BupwWhAICFHSH1A 9392
chmpy/crystal/fingerprint.py sha256=Jb912DfMB9blc7qmwnLZcNR_Vi3LNCG5afsHpShS7ZA 4097
chmpy/crystal/symmetry_operation.py sha256=H-DGt7b_G3sT4CW_-RE_xt-j6u-SQ4gmaEMgV0dFjwo 14394
chmpy/crystal/asymmetric_unit.py sha256=2vw12iKWKfMEchf4fnJ4qbBL0Xk7pPa7k0MHKAGPfDM 2846
chmpy/crystal/__init__.py sha256=bh1VKnsp-oDw_S19ZOnmE4m09cmKrYJTr5bV0f_-8sw 639
chmpy/crystal/space_group.py sha256=5rQsAP6PICXqLFwYph_wk-z-Vb-zQ1hdtMUxGPqGwYo 13082
chmpy/crystal/point_group.py sha256=xYRdcuTBHb-e5sTxrcV5fSlBMzct3bcM8fchXY9ab2I 10599
chmpy/crystal/sgdata.json sha256=s8eGk7vl7imQVxj99zu2g07V9QWtZ1wpm8ItpWmJZtA 104217
chmpy/crystal/sfac/_sfac.pyx sha256=pO2gyc78DP_cm3GClZtQsW74265HxdVtl6WFHIRluSw 3127
chmpy/crystal/sfac/__init__.py sha256=kgCBSq7S39SgmLOPTYEH0jhyuXXevj7RFn0AuAL3vj4 6592
chmpy/crystal/sfac/_sfac.cpython-310-darwin.so sha256=1ExA26TZ04n53Fjl9nltCzlapIj9T2UAikhZ0uDkdDg 223176
chmpy/crystal/sfac/waaskirf.npz sha256=_UPo2giv25wI3l0whZE3afWnlZH03mUdaxacfsasYrc 17932
chmpy/subgraphs/carboxylic_acid.gt sha256=mwt5aLQo79_ezk-ABskCpY0qudtNQN1oMuaqGBRHT18 418
chmpy/subgraphs/__init__.py sha256=4DH66h1kHRo5I3j0yWTi156_syBXYonRyrzOm716xP8 347
chmpy/descriptors/__init__.py sha256=zePLTxu64GHYnp_n9dKVZFRwbuRD1BYBRQBdXpzlqSk 524
chmpy/descriptors/symmetry_function_ani1.py sha256=dHgN1a9TVoxT--DmBn1tv3kXffnoQ-7wt2-OOpxS2NY 9370
chmpy/mc/_mc_lewiner.pyx sha256=N9xpP1W05_uA1PM9xmArlFORnLmzH95PGbv-TQUbiYI 56074
chmpy/mc/_mc_lewiner.cpython-310-darwin.so sha256=zFpPjTtTT2GhV2fxTAg6cECKeYPCtOzJrwZGCj0XgQ4 299728
chmpy/mc/lookup_tables.py sha256=u6nd759VqIYqheX6YzfloK7BOtRiZ3bpT6YruC-TB3g 25780
chmpy/mc/__init__.py sha256=RvWLHC-yWMwQ6X-iCMYOSwZuFyKKaHJwtK3UEA-2TiU 61
chmpy/mc/_mc.py sha256=lUW1J6dqqEeegUEUV6zHU5LRXXxxm0tPHypV-XTyWx8 12847
chmpy/interpolate/lerp.py sha256=4HbG5NKNjaq1QXp8cBqIc-V_7BvIb3F6fRMdAmbNRTo 670
chmpy/interpolate/_density.pyx sha256=6x02TIAo1dhf46H9Oc7L5fsn3H3xIIZIAV7zMTn4mu0 10777
chmpy/interpolate/__init__.py sha256=dAVJSc-drACL6SQJmt9V4cIJlElV_ILWor6May3WDSc 87
chmpy/interpolate/_density.cpython-310-darwin.so sha256=qIgj8kbhoomJe_m7CNPFdKecfjWCdHPWLqbfshVKI8w 262416
chmpy/interpolate/thakkar_interp.npz sha256=tXbigREtT88zI579yNZXmj2-WO8w1DHjMT23zSKjA4s 3250343
chmpy/interpolate/density.py sha256=MZOkjMeyT9vl3-W6daqN3GlJa36TmfwfWkQ0fPGQkLU 4498
chmpy/ints/lebedev_grids.npz sha256=of0NRVrg3hGw4HB-4aqLSopyQIiKT-EJS0z-93cDdVc 161044
chmpy/ints/solvation.py sha256=O5-Be2LHfUiNkEioHTEvjs6C8cQBN8qDH5jXQVaE-2c 1896
chmpy/ints/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
chmpy/ints/lebedev.py sha256=XVoDwuN-G6Ew5NyTHR7tKk99nP2y53yQ-Iyly8BhLPc 938
chmpy/opt/__init__.py sha256=g6NfvWYQTkz0oEUv-g0g1wH61TZmOVt5vsMZH1KY5Ak 111
chmpy/opt/gulp.py sha256=k6NUAcQnlg6uWFbpcRl5lQBoYvjn4ttRhodXzM3wlww 4932
chmpy/opt/xtb.py sha256=7TCgzn7r5SJecFx4jWN8SaJgGd_8RLzT35PwHCNfETM 10282
chmpy/templates/gulp.jinja2 sha256=dkq5K2XcfSnSrm0JC3UgazFtlLrQ35Dv8UZR0FWptyw 393
chmpy/templates/crystal17.jinja2 sha256=crew_oJ7-dJbRW44dk37AdZSZyQDWkNSRAa9W2klffw 443
chmpy/templates/tmol.jinja2 sha256=bVPHamjLhraQW2gDWBwCrhNrqWdzISyBTq7BFP0apTA 488
chmpy/templates/__init__.py sha256=MXRWIN8y5hCDXxo5YU_Zt0xtm4hkETCxbuByNJh_GpA 1434
chmpy/templates/gaussian_scf.jinja2 sha256=qPnjMYVBlZamJ_lRmVfMiAuRLXYt1OzLP2AMKaoIaHs 277
chmpy/templates/tonto_pair_energy.jinja2 sha256=1jQOA0p1tnGZcQ8IDnRZ_luGRnunaknWcb9cpF6FHbE 525
chmpy/templates/nwchem_input.jinja2 sha256=UITIta3FBCx1NhQXPEB2dOuyHI9n2FStPG5Mbe_FGCs 401
chmpy/exe/exe.py sha256=r95bdrtD8JQJmGOWAqFIICDobv6F1Hrtnl2AZ2ikEjo 6259
chmpy/exe/__init__.py sha256=MsctO-6bqNuGGYlUh0ku1GBZyL2N57zLzRZtVGsJi_Y 406
chmpy/exe/tonto.py sha256=t19OatWG6nYjQI6DUA7IKPfWzOlDKxV7T9iDDmXHyWM 2962
chmpy/exe/gulp.py sha256=Uic8kGplwmujzC91u_SADB8EFLfCXz12_TU-HK91TQ0 3203
chmpy/exe/xtb.py sha256=urTsSpJBJ_CwVf-rOJoTdyoGJUPfAgNOiBNtwYlXb70 4798
chmpy/exe/gaussian.py sha256=Q4ZaeFXLVjlQw-WHfH3sZGJjRQjA0NG8aV4uxvQFFT8 3285
chmpy-1.1.6.dist-info/RECORD
chmpy-1.1.6.dist-info/WHEEL sha256=E2MB0XJUCXndseSQFjX3g9EwjwQZupcMiR-jBsKbAB0 109
chmpy-1.1.6.dist-info/top_level.txt sha256=9GENvAqmneihIdqw0o2bhlxc1gBjH7sBwls2XC-tRL0 6
chmpy-1.1.6.dist-info/LICENSE.txt sha256=NH7XVMUGaX2j1-oPy8e5tsz-q9lonH21kFsNw7gJxlE 2414
chmpy-1.1.6.dist-info/METADATA sha256=0gB-d8WIcHZCVRhF74wuMjuXt3s9MQ16r3OrcC-WvhQ 7544

top_level.txt

chmpy