Repositories list

• dcaspt2_input_generator

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

  Python

  •

  Apache License 2.0

  •1•0•0•1•Updated Nov 4, 2024Nov 4, 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)

  pythonchemistrydirac

  Python

  •

  GNU Lesser General Public License v2.1

  •0•0•0•1•Updated Nov 4, 2024Nov 4, 2024

• windows_setup

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

  sshwindows-10

  PowerShell

  •

  MIT License

  •0•0•0•0•Updated Mar 23, 2023Mar 23, 2023

• set-relqc-soft

  Public
  This repo is a relativistic quantum chemistory programs setup script.

  setupquantum-chemistryshell-script

  Shell

  •

  MIT License

  •0•0•1•0•Updated Feb 12, 2023Feb 12, 2023