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@RQC-HU

RQC-HU

Quantum Chemistry Research Laboratory, Hiroshima University

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  1. sum_dirac_dfcoef sum_dirac_dfcoef Public

    This program summarizes the coefficients from DIRAC (http://diracprogram.org) output file that the .ANALYZE option and *PRIVEC and .VECPRI options in **ANALYZE section are used. (c.f. http://www.di…

    Python

  2. dcaspt2_input_generator dcaspt2_input_generator Public

    GUI tool for supporting the generation of input files for DIRAC_CASPT2 calculation.

    Python 1

Repositories

Showing 5 of 5 repositories
  • dirac_caspt2 Public

    Relativistic second order multi-configuration perturbation calculation program with 1- and 2-electron integrals obtained from the DIRAC calculation.

    RQC-HU/dirac_caspt2’s past year of commit activity
    Fortran 5 LGPL-2.1 0 6 (1 issue needs help) 0 Updated Dec 22, 2024
  • sum_dirac_dfcoef Public

    This program summarizes the coefficients from DIRAC (http://diracprogram.org) output file that the .ANALYZE option and *PRIVEC and .VECPRI options in **ANALYZE section are used. (c.f. http://www.diracprogram.org/doc/release-23/manual/analyze/privec.html)

    RQC-HU/sum_dirac_dfcoef’s past year of commit activity
    Python 0 LGPL-2.1 0 0 0 Updated Nov 25, 2024
  • dcaspt2_input_generator Public

    GUI tool for supporting the generation of input files for DIRAC_CASPT2 calculation.

    RQC-HU/dcaspt2_input_generator’s past year of commit activity
    Python 0 Apache-2.0 1 0 0 Updated Nov 25, 2024
  • windows_setup Public

    This repo is Windows setup scripts for users who use remote servers.

    RQC-HU/windows_setup’s past year of commit activity
    PowerShell 0 MIT 0 0 0 Updated Mar 23, 2023
  • set-relqc-soft Public

    This repo is a relativistic quantum chemistory programs setup script.

    RQC-HU/set-relqc-soft’s past year of commit activity
    Shell 0 MIT 0 1 0 Updated Feb 12, 2023

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