README.md

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