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RQC-HU

Quantum Chemistry Research Laboratory, Hiroshima University

Japan
https://home.hiroshima-u.ac.jp/minoria/index_en.html

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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
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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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 Jul 3, 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 Jul 3, 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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