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EZFF

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1.0.11 EZFF-1.0.11-py3-none-any.whl

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Project: EZFF
Version: 1.0.11
Filename: EZFF-1.0.11-py3-none-any.whl
Download: [link]
Size: 39221
MD5: 398839a9a7fef977e2cf529d470cd5df
SHA256: 1311d357d3e5f0ccfad7a87ef62e3f5b1938e6481f3bd080bd4691604a17f431
Uploaded: 2024-10-30 18:41:24 +0000

dist-info

METADATA · WHEEL · RECORD · top_level.txt

METADATA

Metadata-Version: 2.1
Name: EZFF
Version: 1.0.11
Summary: Multiobjective forcefield optimization for Molecular Dynamics
Author: Aravind Krishnamoorthy
Author-Email: arvk[at]users.noreply.github.com
License: MIT License
Classifier: Development Status :: 4 - Beta
Classifier: Intended Audience :: Science/Research
Classifier: License :: OSI Approved :: MIT License
Classifier: Programming Language :: Python :: 3.6
Classifier: Programming Language :: Python :: 3.7
Classifier: Topic :: Scientific/Engineering :: Chemistry
Classifier: Topic :: Scientific/Engineering :: Physics
Classifier: Natural Language :: English
Classifier: Operating System :: POSIX :: Linux
Classifier: Operating System :: Unix
Requires-Dist: numpy (==1.26.4)
Requires-Dist: mpi4py (>=3.0.0)
Requires-Dist: xtal (>=0.9.1)
Requires-Dist: schwimmbad (>=0.3.2)
Requires-Dist: nevergrad (>=0.11.0)
Requires-Dist: pymoo (>=0.6.0.dev0)
Requires-Dist: platypus-opt (>=1.0.3)
Requires-Dist: deap (>=1.3.0)
Requires-Dist: periodictable (>=1.6.1)
Requires-Dist: cclib (>=1.8)
License-File: LICENSE
[No description]

WHEEL

Wheel-Version: 1.0
Generator: setuptools (72.2.0)
Root-Is-Purelib: true
Tag: py3-none-any

RECORD

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ezff/errors.py sha256=oCXH2ebHoyxtuGImo-q_ORoe6ML9fRafdnx2ZOy3fEg 8202
ezff/ffio.py sha256=6MUQbV23jmuPX7L_jAG7GbzrDe1zo1_rjf5LAGWKrKk 3760
ezff/interfaces/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ezff/interfaces/gaussian.py sha256=XV0Lbl_Rb2ck_0DAOBkdCQD7yxuwKANM4H1f7w6Rqls 4823
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ezff/interfaces/lammps.py sha256=KaABVQiwHlt5cXIBRnbL4YXFCOr_zBHcnsuQWAxZnys 46776
ezff/interfaces/qchem.py sha256=oHssievS8McUQP1QV-BPXcfYS-7n1o4q1VLg3gOXi_Y 6163
ezff/interfaces/rxmd.py sha256=PRBnnsC4JVdLjlLC1nNtMs8THd11_xkBoSMc1fEFg8g 11546
ezff/interfaces/vasp.py sha256=I-mpIwq3L5Riat-aDZXwQHD-78CMSJ9xd8ImtWXnJHY 2399
ezff/utils/__init__.py sha256=vOkH2iym8UNbx7C7_UFQpGEtmnoD1Ylkl6_drrMj9mc 22
ezff/utils/atomic_properties.py sha256=QdmOMfqAzl7kK9nJ2_Eb6yTpRET4HQGyD_501iMORUY 2274
ezff/utils/convert_units.py sha256=DdbHyTBRE4VGJq-9kKXkV5i5Apm714t3nH2am1IYED8 1329
ezff/utils/reaxff.py sha256=D9pGcRuNvHqOm3-BsdcB2LhmKCuZOt18QgNZ796Pz14 54407
EZFF-1.0.11.dist-info/LICENSE sha256=i0w3q_ICgkMIBYfAqzI6Dga1gnLMXEIyrFo2x7L63Fg 1079
EZFF-1.0.11.dist-info/METADATA sha256=Q0bWd6pe5ziZrfsBBeSYS8M2IG8VykZrnzUmgudo5FU 1027
EZFF-1.0.11.dist-info/WHEEL sha256=HiCZjzuy6Dw0hdX5R3LCFPDmFS4BWl8H-8W39XfmgX4 91
EZFF-1.0.11.dist-info/top_level.txt sha256=YyKF3gtdN0kGAx4yzIobYWUV2mYqoGT4joY_wyIzB-A 5
EZFF-1.0.11.dist-info/RECORD — —

top_level.txt

ezff