├── LICENSE ├── README.md ├── dalton.py ├── gamessuk.py ├── gaussian.py ├── generators.cmake ├── inputgeneratortest.py ├── molpro.py ├── mopac.py ├── nwchem.py ├── orca.py ├── plugin.json ├── psi4.py ├── pyscf.py ├── qchem.py └── terachem.py /LICENSE: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/OpenChemistry/avogenerators/HEAD/LICENSE -------------------------------------------------------------------------------- /README.md: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/OpenChemistry/avogenerators/HEAD/README.md -------------------------------------------------------------------------------- /dalton.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/OpenChemistry/avogenerators/HEAD/dalton.py -------------------------------------------------------------------------------- /gamessuk.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/OpenChemistry/avogenerators/HEAD/gamessuk.py -------------------------------------------------------------------------------- /gaussian.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/OpenChemistry/avogenerators/HEAD/gaussian.py -------------------------------------------------------------------------------- /generators.cmake: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/OpenChemistry/avogenerators/HEAD/generators.cmake -------------------------------------------------------------------------------- /inputgeneratortest.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/OpenChemistry/avogenerators/HEAD/inputgeneratortest.py -------------------------------------------------------------------------------- /molpro.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/OpenChemistry/avogenerators/HEAD/molpro.py -------------------------------------------------------------------------------- /mopac.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/OpenChemistry/avogenerators/HEAD/mopac.py -------------------------------------------------------------------------------- /nwchem.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/OpenChemistry/avogenerators/HEAD/nwchem.py -------------------------------------------------------------------------------- /orca.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/OpenChemistry/avogenerators/HEAD/orca.py -------------------------------------------------------------------------------- /plugin.json: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/OpenChemistry/avogenerators/HEAD/plugin.json -------------------------------------------------------------------------------- /psi4.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/OpenChemistry/avogenerators/HEAD/psi4.py -------------------------------------------------------------------------------- /pyscf.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/OpenChemistry/avogenerators/HEAD/pyscf.py -------------------------------------------------------------------------------- /qchem.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/OpenChemistry/avogenerators/HEAD/qchem.py -------------------------------------------------------------------------------- /terachem.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/OpenChemistry/avogenerators/HEAD/terachem.py --------------------------------------------------------------------------------