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RQC-HU

Quantum Chemistry Research Laboratory, Hiroshima University

1 follower
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 option are activated. (c.f. https://www.diracprogram.org/doc/release-2…

Python
dcaspt2_input_generator dcaspt2_input_generator Public

GUI tool for supporting the generation of input files for dirac_caspt2(https://github.com/RQC-HU/dirac_caspt2) calculation.

Python 1

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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 4 (1 issue needs help) 2 Updated Feb 19, 2025
dcaspt2_input_generator Public
GUI tool for supporting the generation of input files for dirac_caspt2(https://github.com/RQC-HU/dirac_caspt2) calculation.

RQC-HU/dcaspt2_input_generator’s past year of commit activity

Python 0 Apache-2.0 1 0 0 Updated Jan 30, 2025
sum_dirac_dfcoef Public
This program summarizes the coefficients from DIRAC (http://diracprogram.org) output file that the .ANALYZE option and .PRIVEC option are activated. (c.f. https://www.diracprogram.org/doc/release-23/manual/analyze.html#privec)

RQC-HU/sum_dirac_dfcoef’s past year of commit activity

Python 0 LGPL-2.1 0 0 0 Updated Jan 15, 2025
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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