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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

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