Shirong_Wang's repositories
S-O-MQC-HW
Solutions for Modern Quantum Chemistry, Szabo & Ostlund
awesome-qc-courses
Quantum Chemistry course resources available on github and other platforms
CompoundScripts
Collection of 'compound scripts' for use with the ORCA quantum chemistry software
NOASSERTION000
Language:PythonGPL-3.0000
dftd3
DFT-D3 interface
Language:PythonApache-2.0000
geomeTRIC
Geometry optimization code that includes the TRIC coordinate system
Language:PythonNOASSERTION000
Language:Python000
Py_xDH_andmore
Document and code of python and PySCF approach XYG3 type of density functional 2nd-derivative realization
Language:PythonGPL-3.0000
pyscf-forge
pyscf-forge is a collection of extensions for pyscf
Language:PythonApache-2.0000
pyscf.github.io
PySCF website and documentation
Language:TeXApache-2.0000
pysisyphus
Python suite for optimization of stationary points on ground- and excited states PES and determination of reaction paths.
Language:PythonGPL-3.0000
Language:Rust000
Language:RustGPL-3.0000
Language:Shell000
shciscf
An interface to SHCI program Dice developed by Sharma group
Language:PythonApache-2.0000
simple-dftd3
reimplementation of the DFT-D3 program
Language:FortranLGPL-3.0000
vdw
https://gitee.com/ajz34/vdw.git
Language:PythonApache-2.0000