Avogenerators
Python input file generators for Avogadro 2
Install / Use
/learn @OpenChemistry/AvogeneratorsREADME
Avogadro 2 Input Generators
Introduction
This repository contains the Python input generators that can be run by the Avogadro 2 application to generate input for various codes:
- NWChem
- Gaussian
- MOPAC
- Orca
- Q-Chem
- Dalton
- GAMESS-UK
- Psi4
- (etc.)
Pull requests, bug reports, new codes, and feature suggestions are most welcome.
Installing
These scripts need to be installed in a location where the Avogadro 2 application can find them, for example the "Plugin Downloader" feature.
Contributing
You should fork the repository on GitHub, and submit a pull request for new input generators. We encourage you to discuss any new generators on our development list.
Please use the Avogadro discussion forum for suggestions, bug reports, and general discussion.
<a href="https://github.com/openchemistry/avogenerators/graphs/contributors"> <img src="https://contrib.rocks/image?repo=openchemistry/avogenerators" alt=""/> </a>Made with contributors-img.
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