semvec/pypi-packages huggingface dataset:
dcaspt2-input-generator 0.8.0
This is a GUI tool for supporting the generation of input files for DIRAC_CASPT2 calculation.
Requires Python: >=3.7

# dcaspt2_input_generator

## Description

- This is a GUI tool for supporting the generation of input files for [dirac_caspt2](https://github.com/RQC-HU/dirac_caspt2) calculation.

## Prerequisites

- Python 3.7 or later
- pip

## Install

```bash
pip install -U dcaspt2_input_generator
```

## Usage

```bash
dcaspt2_input_generator
```
 or
```bash
python -m dcaspt2_input_generator
```

For more information, please see the [wiki](https://github.com/RQC-HU/dcaspt2_input_generator/wiki).

## LICENSE

- Apache LICENSE 2.0

## Author

- Kohei Noda