Metadata-Version: 2.4
Name: pyscf-sidereus
Version: 0.5
Summary: SIDEREUS module for PySCF - Enhanced quantum chemistry calculations
Author-email: Yijie Xia <yijiexia@pku.edu.cn>
License: Apache-2.0
Classifier: Development Status :: 3 - Alpha
Classifier: Intended Audience :: Science/Research
Classifier: License :: OSI Approved :: Apache Software License
Classifier: Natural Language :: English
Classifier: Operating System :: POSIX
Classifier: Programming Language :: Python :: 3
Classifier: Topic :: Software Development :: Libraries :: Python Modules
Classifier: Topic :: Scientific/Engineering :: Physics
Classifier: Topic :: Scientific/Engineering :: Chemistry
Description-Content-Type: text/markdown
Requires-Dist: pyscf
Requires-Dist: numpy==1.26.4
Requires-Dist: rdkit
Requires-Dist: matplotlib
Requires-Dist: pyyaml
Requires-Dist: pysisyphus

# PySCF SIDEREUS

由 Sidereus-AI 公司开发的 PySCF 模块，用于增强量子化学计算功能，提供常用功能封装。

部分功能：

- NMR 计算（来源于 pyscf-properties 的 NMR 模块）
