Sample script files to run QM/MM in GENESIS

• 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.

• orca

  • orca_xx.com
    Input files for ORCA5
  • run_orca
    Script files to run ORCA from GENESIS.

• qchem

  • qchem_xx.inp
    Input files for QChem4.4.
  • run_qchem
    Script files to run Q-Chem from GENESIS.

• qsimulate

  • qsimulate_xx.json
    Input files for QSimulate-QM.
  • run_qimulate
    Script files to run GENESIS/QSimulate-QM

• terachem

  • terachem_xx.inp
    Input files for TeraChem-1.93P
  • run_tc
    Script files to run TeraChem from GENESIS.

• dftb+

  • dftb_xx.inp
    Input files for DFTB+ 23
  • run_dftb
    Script files to run DFTB+ from GENESIS.