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
dftd3
DFT-D3 interface
geomeTRIC
Geometry optimization code that includes the TRIC coordinate system
Py_xDH_andmore
Document and code of python and PySCF approach XYG3 type of density functional 2nd-derivative realization
pyscf-forge
pyscf-forge is a collection of extensions for pyscf
pyscf.github.io
PySCF website and documentation
pysisyphus
Python suite for optimization of stationary points on ground- and excited states PES and determination of reaction paths.
shciscf
An interface to SHCI program Dice developed by Sharma group
simple-dftd3
reimplementation of the DFT-D3 program
Solution_for_Every_Gaussian_Error_Message
Reliable explanation and ways to solve the error messages for the Gaussian quantum chemistry program. This is a per request English translation for a long blog in Chinese I wrote a few years back.