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 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
Project details
Release history Release notifications | RSS feed
Download files
Download the file for your platform. If you're not sure which to choose, learn more about installing packages.
Source Distribution
Built Distribution
Close
Hashes for dcaspt2_input_generator-0.3.0.tar.gz
Algorithm | Hash digest | |
---|---|---|
SHA256 | 87e1d50d182f8be2fe3ed0736f0af7f8e5afdd0d562267fc438f7af9d4a8df94 |
|
MD5 | 9c5de91f9c54a3338ef9e574554bff93 |
|
BLAKE2b-256 | f7dd74d49074e740391e716dd6daea1e384fea547c63810c0d9dc5f96a8fad77 |
Close
Hashes for dcaspt2_input_generator-0.3.0-py3-none-any.whl
Algorithm | Hash digest | |
---|---|---|
SHA256 | 7fb6504040b89ff5625856ae1ac7281aacf7ca349b70f90b3e052fe1777e6a3c |
|
MD5 | 8a1f24589a083da8040684c52bdc14e9 |
|
BLAKE2b-256 | 6b8a96a3310bea902f4e5267223272a8f6dd04610113ad7336eef314acb70906 |