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0.1.8 pyscfad-0.1.8-py3-none-any.whl

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Project: pyscfad
Version: 0.1.8
Filename: pyscfad-0.1.8-py3-none-any.whl
Download: [link]
Size: 166508
MD5: 7793eaa8def0412e019bf6a9c5a16561
SHA256: 78f048b34bbaa9df1bf4b31dfbd8d9614fdd2b9ada1b48a5da646a5f97fa7689
Uploaded: 2024-10-31 00:25:09 +0000

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METADATA

Metadata-Version: 2.1
Name: pyscfad
Version: 0.1.8
Summary: PySCF with autodiff
Author: Xing Zhang
Author-Email: xzhang8[at]caltech.edu
Home-Page: https://github.com/fishjojo/pyscfad
License: MIT
Classifier: Development Status :: 3 - Alpha
Classifier: Topic :: Scientific/Engineering
Classifier: Intended Audience :: Science/Research
Classifier: License :: OSI Approved :: MIT License
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: Programming Language :: Python :: 3.13
Requires-Python: >=3.9
Requires-Dist: numpy (>=1.17)
Requires-Dist: scipy
Requires-Dist: h5py
Requires-Dist: jax (>=0.4.14)
Requires-Dist: jaxlib (>=0.4.14)
Requires-Dist: pyscf (>=2.3)
Requires-Dist: pyscfadlib (>=0.1.4)
Description-Content-Type: text/markdown
License-File: LICENSE
[Description omitted; length: 1472 characters]

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top_level.txt

pyscfad