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.

Made with contributors-img.

Name		Name	Last commit message	Last commit date
Latest commit History 68 Commits
.github		.github
.gitignore		.gitignore
LICENSE		LICENSE
README.md		README.md
dalton.py		dalton.py
gamessuk.py		gamessuk.py
gaussian.py		gaussian.py
generators.cmake		generators.cmake
inputgeneratortest.py		inputgeneratortest.py
molpro.py		molpro.py
mopac.py		mopac.py
nwchem.py		nwchem.py
orca.py		orca.py
plugin.json		plugin.json
psi4.py		psi4.py
pyscf.py		pyscf.py
qchem.py		qchem.py
terachem.py		terachem.py

License

OpenChemistry/avogenerators

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