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GAMESS Development

The General Atomic and Molecular Electronic Structure System (GAMESS) is a general ab initio quantum chemistry package.

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  1. performance performance Public

    GAMESS Performance Benchmark

    Shell 8 3

  2. gamess-issues gamess-issues Public

    GAMESS issue tracking

    7 1

  3. FAQ FAQ Public

    Frequently Asked Questions

    Shell 3 2

  4. test-validation test-validation Public

    Logfile parser and validation

    Shell 1

  5. gamess-papers gamess-papers Public

    A repository for GAMESS related documents.

    1

  6. ecp-jenkins-ci ecp-jenkins-ci Public archive

    Integration of Jenkins-CI with GAMESS

    1

Repositories

Showing 10 of 14 repositories
  • external_bases Public

    External basis set files in a format that will be readable by GAMESS when using EXTBAS in the input file

    Python 0 MIT 0 0 0 Updated Apr 10, 2025
  • mpi Public

    playing with new mpi framework

    Fortran 0 0 0 0 Updated Mar 25, 2025
  • gmshpc-issues Public

    Public Issue Tracking Repo for GMSHPC

    0 0 0 0 Updated Dec 17, 2024
  • libxc-tests Public

    LIBXC inputs and validation files for GAMESS testing

    Python 0 2 0 0 Updated Oct 16, 2024
  • sc24-pap432s2 Public
    Shell 0 0 0 0 Updated Aug 16, 2024
  • fragmentation-inputs Public

    Fragmentation inputs for ECP and CCS

    Shell 0 1 0 0 Updated Apr 15, 2024
  • ecp-kpp2 Public

    GAMESS ECP KPP-2 Artifacts

    Shell 0 1 0 0 Updated Feb 28, 2024
  • rimp2-across-arch-inputs Public

    Inputs used for RIMP2 OpenMP offloading across architectures paper

    0 0 0 0 Updated May 15, 2023
  • gamess-issues Public

    GAMESS issue tracking

    7 1 48 0 Updated Feb 9, 2023
  • test-validation Public

    Logfile parser and validation

    Shell 0 GPL-3.0 1 0 0 Updated Mar 16, 2022
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