Pinned Repositories
MOKIT
Orbital transfer and automatic multi-reference calculation for quantum chemistry
awesome-qc-courses
Quantum Chemistry course resources available on github and other platforms
awesome-qc-programs
dh_helper
ExSCF
pyAutoMR
Automatic MR based on PySCF
pyNOF
Natural-orbital Functional based on PySCF
S-O-MQC-HW
Solutions for Modern Quantum Chemistry, Szabo & Ostlund
szaboqc
《现代量子化学》汉化版
pyscf
Python module for quantum chemistry
hebrewsnabla's Repositories
hebrewsnabla/S-O-MQC-HW
Solutions for Modern Quantum Chemistry, Szabo & Ostlund
hebrewsnabla/awesome-qc-courses
Quantum Chemistry course resources available on github and other platforms
hebrewsnabla/pyAutoMR
Automatic MR based on PySCF
hebrewsnabla/pyNOF
Natural-orbital Functional based on PySCF
hebrewsnabla/ExSCF
hebrewsnabla/awesome-qc-programs
hebrewsnabla/awesome-programs-for-xDH
hebrewsnabla/pyscf
Python module for quantum chemistry
hebrewsnabla/xDH4Gau
hebrewsnabla/CompoundScripts
Collection of 'compound scripts' for use with the ORCA quantum chemistry software
hebrewsnabla/amesp-doc
hebrewsnabla/blog
hebrewsnabla/china-university-thesis-index
hebrewsnabla/civ6-harmony-in-diversity
hebrewsnabla/dftd3
DFT-D3 interface
hebrewsnabla/geomeTRIC
Geometry optimization code that includes the TRIC coordinate system
hebrewsnabla/hf-tutorial
hebrewsnabla/lsfman
hebrewsnabla/MiscConfig
hebrewsnabla/Py_xDH_andmore
Document and code of python and PySCF approach XYG3 type of density functional 2nd-derivative realization
hebrewsnabla/pyscf-forge
pyscf-forge is a collection of extensions for pyscf
hebrewsnabla/pyscf.github.io
PySCF website and documentation
hebrewsnabla/pysisyphus
Python suite for optimization of stationary points on ground- and excited states PES and determination of reaction paths.
hebrewsnabla/rest
hebrewsnabla/rest_tensors
hebrewsnabla/rest_workspace
hebrewsnabla/shciscf
An interface to SHCI program Dice developed by Sharma group
hebrewsnabla/simple-dftd3
reimplementation of the DFT-D3 program
hebrewsnabla/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.
hebrewsnabla/stats