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0.7.3 clims-0.7.3-py3-none-any.whl

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Project: clims
Version: 0.7.3
Filename: clims-0.7.3-py3-none-any.whl
Download: [link]
Size: 59574
MD5: 2615164643b5ba68f1120d2e20e23028
SHA256: 02d7354f2c70344236a59fee3d225c9c9bfc72187a23b1352121b95be13949c2
Uploaded: 2024-09-24 21:56:09 +0000

dist-info

METADATA · WHEEL · RECORD · top_level.txt · entry_points.txt

METADATA

Metadata-Version: 2.1
Name: clims
Version: 0.7.3
Summary: Command-Line Interface for Materials Simulations
Author: FHI-aims developers
Home-Page: https://gitlab.com/FHI-aims-club/utilities/clims
License: LGPLv2.1+
Classifier: License :: OSI Approved :: GNU Lesser General Public License v2 or later (LGPLv2+)
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.9
Requires-Python: >=3.9
Requires-Dist: ase (>=3.23)
Requires-Dist: spglib (>=2.5.0)
Requires-Dist: phonopy (>=2.9.3)
Requires-Dist: matplotlib (>=3.4.1)
Requires-Dist: click (>=7.1.2)
Requires-Dist: pytest (>=6.2.3)
Requires-Dist: numpy (<2.0)
Requires-Dist: Elastic (>=0.1)
Requires-Dist: mace-torch (==0.3.6); extra == "mace"
Provides-Extra: mace
Description-Content-Type: text/markdown
License-File: LICENSE
[Description omitted; length: 5405 characters]

WHEEL

Wheel-Version: 1.0
Generator: setuptools (75.1.0)
Root-Is-Purelib: true
Tag: py3-none-any

RECORD

Path Digest Size
clims/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
clims/construct_wigner_seitz_cluster.py sha256=VfC1z3kkoCGMa_iKfZRuzPhNI3uqi85EmvzcgDKOdZA 5095
clims/elements.py sha256=7USpiQvWwWoQT6uYc2xRIhkLfTQExPNGuSXOG0CoO98 2062
clims/phonopy_interface.py sha256=TJBpAVF-u8w0QNEehynOkWnVTYWdFMt0qw3x6HJjkxY 5145
clims/plot_mulliken.py sha256=vd-wkGMJF-50Eg35whdgSBsn18i5KT-wDNxE3Hm3tsc 5760
clims/prepare_input.py sha256=zcMBj_L1ttO0y9gA4_UqGojv5xMpfbkJzBlQZlWon9c 5668
clims/prepare_submission.py sha256=_JIOLNs26v_03qW1DgM2P8uTAipbpku0mQzvlh4Rolc 800
clims/read_band_data.py sha256=7odrT8jkyW6wJQoXzn49FcrxVDHcPlfTaaUqpJrmzYc 5813
clims/read_control.py sha256=EM0T8C6j3FgrbPcbff16iOeycwWl8ff9WndY0mvRu9g 1263
clims/read_dos_data.py sha256=tV4pZGyPlqB9-OoEQM_2F5WemlcH0Pyd4Sc5ja2sop4 2732
clims/structure.py sha256=SnDuv6-Md8Nog7juXe7OQbpB1SMpjRm8cagjB8JG0Vc 3152
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clims/cli/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
clims/cli/aimsplot.py sha256=X-4HuZpgGrugVhX4cREyjx-2ZjVGN1MTkz1GzBjVOvk 17887
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clims/cli/configure.py sha256=HK6F7qybAkI2h5vCUz-YQqAc5RER3_3GtX1va5ovr2A 3105
clims/cli/convert.py sha256=p7KLkZ2zO4ryNTsyFx9tj9OtN32x7f3bTlKOpkbODJQ 1503
clims/cli/elastic_constants.py sha256=8XicPY93VF6T8tMVbpslB5eY5bdY3Sr5T7bYuwIYR4E 3938
clims/cli/mace.py sha256=jHt7Sy7l-qhSWSpEBZyt98gKNBN4wMbEg_3UVPSkok8 2289
clims/cli/phonons.py sha256=d7wt5ZxzzJVuyeQxSE-4ycaD_S9LzczU3n2zZkCWbzs 1702
clims/cli/prepare_run.py sha256=ATzL6ywlqVP4hdPgItIYZw9sPB8UDvqiBv2tiY2ZktE 3322
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clims/cli/testsuite.py sha256=LCfoyQKwRVPn8F_xS84jQAd90w40Wd6lhG4vJExtV5Q 1145
clims/cli/unit_cell_info.py sha256=vs1LepkMmY6Vl1O2ewyZfxqTvkuk44ALZOEHPy-VUVo 2637
clims/cli/wigner_seitz_cluster.py sha256=wVqxFeR4P-IVxJ6uykR6nCHrvtFBrFqYzIorQ_CQO3o 1823
clims/cli/xyplot.py sha256=r0gMyvEFCH-e_xPsKG2V79aZn2thHInKACIibFb5c6g 506
test/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
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clims-0.7.3.dist-info/LICENSE sha256=3DPvhmobAOp4QE3KIEXr2pESoa80RRJKe-NltB506Ts 24575
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clims-0.7.3.dist-info/RECORD — —

top_level.txt

clims
test

entry_points.txt

[console_scripts]
clims-aimsplot = clims.cli.aimsplot:aimsplot
clims-configure = clims.cli.configure:clims_configure
clims-convert-geometry = clims.cli.convert:convert
clims-elastic = clims.cli.elastic_constants:clims_elastic
clims-phonopy = clims.cli.phonons:clims_phonopy
clims-prepare-run = clims.cli.prepare_run:prepare_run
clims-prerelax = clims.cli.mace:clims_prerelax
clims-reinitialize-geometry = clims.cli.reinitialize_geometry:reinitialize_geometry
clims-supercell = clims.cli.supercell:supercell
clims-testsuite = clims.cli.testsuite:testsuite
clims-unit-cell-info = clims.cli.unit_cell_info:unit_cell_info
clims-wigner-seitz-cluster = clims.cli.wigner_seitz_cluster:construct
clims-xyplot = clims.cli.xyplot:xyplot