Wheelodex » Projects » matcalc

matcalc

View on PyPI — Reverse Dependencies (1)

0.0.4 matcalc-0.0.4-py3-none-any.whl

Wheel Details

Project: matcalc
Version: 0.0.4
Filename: matcalc-0.0.4-py3-none-any.whl
Download: [link]
Size: 14300
MD5: 64dcc6ec815b9595f4bb998746434149
SHA256: 9c4d2d23e088c416fe2814dc64ec615e86ad0baafb05f26e503bb79420621718
Uploaded: 2024-01-01 18:51:10 +0000

dist-info

METADATA · WHEEL · RECORD · top_level.txt

METADATA

Metadata-Version: 2.1
Name: matcalc
Version: 0.0.4
Summary: Calculators for materials properties from the potential energy surface.
Author-Email: Eliott Liu <elliottliu17[at]gmail.com>, Janosh Riebesell <janosh[at]lbl.gov>, Ji Qi <j1qi[at]ucsd.edu>, Shyue Ping Ong <ongsp[at]ucsd.edu>, Tsz Wai Ko <t1ko[at]ucsd.edu>
Keywords: AI,deep learning,force field,graph,interatomic potential,machine learning,materials,property prediction,science
Classifier: Development Status :: 4 - Beta
Classifier: Intended Audience :: Science/Research
Classifier: License :: OSI Approved :: BSD License
Classifier: Operating System :: OS Independent
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.10
Classifier: Programming Language :: Python :: 3.8
Classifier: Programming Language :: Python :: 3.9
Classifier: Topic :: Scientific/Engineering :: Chemistry
Classifier: Topic :: Scientific/Engineering :: Information Analysis
Classifier: Topic :: Scientific/Engineering :: Physics
Classifier: Topic :: Software Development :: Libraries :: Python Modules
Requires-Python: >=3.9
Requires-Dist: ase
Requires-Dist: joblib
Requires-Dist: phonopy
Requires-Dist: pymatgen
Requires-Dist: chgnet; extra == "models"
Requires-Dist: matgl (>=0.9.0); extra == "models"
Provides-Extra: models
Description-Content-Type: text/markdown
License-File: LICENSE
[Description omitted; length: 2342 characters]

WHEEL

Wheel-Version: 1.0
Generator: bdist_wheel (0.42.0)
Root-Is-Purelib: true
Tag: py3-none-any

RECORD

Path Digest Size
matcalc/__init__.py sha256=YN6rI86zh1QlgqhycxDqKK_69S1Eh339N3zwWBfjJHo 248
matcalc/base.py sha256=64-LLpq8dNEL9_RTKDhZRMsyrK4LtPxQgTG5MXg2AgQ 1801
matcalc/elasticity.py sha256=E7F8OgMlEUDOPEURUcF4nuQj6huwJWebt_z7hKGK1Tc 6093
matcalc/eos.py sha256=pgYzXxBWlLvvIf6NugdLMyt43JD2QoSlgMlL9ThMjVU 4322
matcalc/neb.py sha256=9_YDak2WujO7DLUC-xcw9awUGUFZJTeGC8HbsgxzD0k 4623
matcalc/phonon.py sha256=JaaG7JS9ivhN4UQCNIvmt1uNm8ceobbpb7sEOvqpdTc 3829
matcalc/relaxation.py sha256=k1cVj9Y55HgRG-MKRMAv6P-MMOB3vpmumNKUFaNSjl0 5083
matcalc/utils.py sha256=Ofyn0fVK9FfYX2p_4POEUeFmmsuxY_-jnqncfQs4UCQ 2978
matcalc-0.0.4.dist-info/LICENSE sha256=p7WRARHnNcrpXaZySyly4Mw_qriHMpLduC76_vVSliI 1508
matcalc-0.0.4.dist-info/METADATA sha256=MNB5nSehH-gHPbwodLwMyjQ3RrlD0SxvAfgpnWE0QSs 3696
matcalc-0.0.4.dist-info/WHEEL sha256=oiQVh_5PnQM0E3gPdiz09WCNmwiHDMaGer_elqB3coM 92
matcalc-0.0.4.dist-info/top_level.txt sha256=MokPeKExEAmiipml-KFHRHcbxCtnLvatOfzn8eAbvlI 8
matcalc-0.0.4.dist-info/RECORD — —

top_level.txt

matcalc