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Xing Zhang's Projects

abinit icon abinit

The official github mirror of the Abinit repository. We welcome bug fixes and improvements. Note that most of the active developments are hosted on our https://gitlab.abinit.org/ server. Before embarking on making significant changes, please contact the Abinit group.

abipy icon abipy

Open-source library for analyzing the results produced by ABINIT

cosmosac icon cosmosac

A Benchmark Implementation of COSMO-SAC

gpu4pyscf icon gpu4pyscf

A plugin to use Nvidia GPU in PySCF package

libcint icon libcint

general GTO integrals for quantum chemistry

properties icon properties

Molecular and crystal electromagnetic properties

pyscf icon pyscf

Python module for quantum chemistry

shciscf icon shciscf

An interface to SHCI program Dice developed by Sharma group

staged-recipes icon staged-recipes

A place to submit conda recipes before they become fully fledged conda-forge feedstocks

xcfun icon xcfun

XCFun: A library of exchange-correlation functionals with arbitrary-order derivatives

xtb icon xtb

Semiempirical Extended Tight-Binding Program Package

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