-
run_genesis
Script files to run GENESIS -
gaussian
- gaussian_xx.com
Input files for Gaussian09/16 - run_gaussian
Script files to run Gaussian from GENESIS.
- gaussian_xx.com
-
orca
- orca_xx.com
Input files for ORCA5 - run_orca
Script files to run ORCA from GENESIS.
- orca_xx.com
-
qchem
- qchem_xx.inp
Input files for QChem4.4. - run_qchem
Script files to run Q-Chem from GENESIS.
- qchem_xx.inp
-
qsimulate
- qsimulate_xx.json
Input files for QSimulate-QM. - run_qimulate
Script files to run GENESIS/QSimulate-QM
- qsimulate_xx.json
-
terachem
- terachem_xx.inp
Input files for TeraChem-1.93P - run_tc
Script files to run TeraChem from GENESIS.
- terachem_xx.inp
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dftb+
- dftb_xx.inp
Input files for DFTB+ 23 - run_dftb
Script files to run DFTB+ from GENESIS.
- dftb_xx.inp
-
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Collection of scripts for running QMMM in GENESIS
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yagikiyoshi/QMMMscripts
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Collection of scripts for running QMMM in GENESIS
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