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kohei-noda-qcrg/README.md

Hi there 👋

I'm Kohei Noda, an Education and Research Support Staff at Hiroshima University.

Pinned

  1. mdbook mdbook Public

    TypeScript

  2. RQC-HU/sum_dirac_dfcoef RQC-HU/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

  3. RQC-HU/dcaspt2_input_generator RQC-HU/dcaspt2_input_generator Public

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

    Python

  4. pymolecule-parser pymolecule-parser Public

    A parser for a molecule formula that supports nested brackets

    Python

  5. mdcint_analyzer mdcint_analyzer Public

    This program provides you utilities to analyze DIRAC MDCINT file.

    Python

  6. RQC-HU/set-relqc-soft RQC-HU/set-relqc-soft Public

    This repo is a relativistic quantum chemistory programs setup script.

    Shell