Metadata-Version: 2.1
Name: raachem
Version: 0.0.4
Summary: Tools I use for computational chemistry
Home-page: https://github.com/ricalmang/raachem
Author: Ricardo Almir Angnes
Author-email: ricardo_almir@hotmail.com
License: MIT
Keywords: chemistry
Platform: UNKNOWN
Classifier: Programming Language :: Python :: 3
Classifier: License :: OSI Approved :: MIT License
Classifier: Operating System :: OS Independent
Requires-Python: >=3.6
Requires-Dist: numpy

# Description
Helpfull scripts for doing computational chemistry

# Latest updates
Support for orca input file creation\
Customizable use of .com or .gjf extensions\
Bug fixes and other customizations

# Installing
On Windons:
```bash
py -m pip install raachem
```
On Linux:
```bash
python3 -m pip install raachem
```

# Running
After installation is complete, you should be able to run the module from any folder using one of the following:
On Windons:
```bash
py -m raachem
```
On Linux:
```bash
python3 -m raachem
```
Done! The script operates on files in the current working directory!


