nwchemgit/nwchem

NWChem: Open Source High-Performance Computational Chemistry

chemistry computational-chemistry density-functional-theory electronic-structure-calculations hartree-fock molecular-simulation nwchem parallel-computing quantum-chemistry

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Languages

Fortran93.2%Scilab3.1%C1.2%Python0.4%Makefile0.4%Shell0.3%HTML0.3%Java0.2%C++0.2%GLSL0.2%Cuda0.2%TeX0.1%Roff0.1%Raku0.1%Perl0.0%sed0.0%M40.0%FreeBASIC0.0%Awk0.0%Pascal0.0%Batchfile0.0%MATLAB0.0%q0.0%CSS0.0%BitBake0.0%Assembly0.0%LiveScript0.0%CMake0.0%Pawn0.0%DIGITAL Command Language0.0%NASL0.0%OpenEdge ABL0.0%Forth0.0%Filebench WML0.0%

Contributors

ED EB ST RO HJ WA TW DM KA GL

Latest Release

v7.3.1-releaseNovember 6, 2025 + 4 more releases

Other

Created November 19, 2017

Updated March 9, 2026