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dcaspt2_input_generator

Description

  • This is a GUI tool for supporting the generation of input files for DIRAC_CASPT2 calculation.

Prerequisites

  • Python 3.7 or later
  • pip

Install

pip install -U dcaspt2_input_generator

Usage

dcaspt2_input_generator

or

python -m dcaspt2_input_generator

For more information, please see the wiki.

LICENSE

  • Apache LICENSE 2.0

Author

  • Kohei Noda