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