Fang Liu's repositories
MultirefPredict
Automated workflow to predict multireference character of molecules in quantum chemistry calculation
CHEM331-PhysicalChemistryI
CHEM331 - Physical Chemistry I
Language:TeX000
molssi_develop_2019
molssi 2019 tutorial
molssi_devops_2019
Package for 2019 workshop!
QC_JSON_Schema
A JSON Schema for Quantum Chemistry
QCElemental
Periodic table, physical constants, and molecule parsing for quantum chemistry.
QCEngine
A wrapper for Quantum Chemistry engines that adheres to the MolSSI QCSchema.
Language:PythonBSD-3-Clause000
QCEngineParsing
A collection of input and output files for QCEngine parsers.