openff/interchange/drivers/amber.py
def _get_amber_energy_vdw(amber_energies: Dict):
    """Get the total nonbonded energy from a set of Amber energies."""
    amber_vdw = 0.0 * omm_unit.kilojoule_per_mole
    for key in ["VDWAALS", "1-4 VDW"]:
        try:
            amber_vdw += amber_energies[key]
        except KeyError:
            pass

    return amber_vdw
Get the total nonbonded energy from a set of Amber energies.
Get the total nonbonded energy from a set of Amber energies.
Get the total nonbonded energy from a set of Amber energies .
def _get_amber_energy_vdw(amber_energies: Dict):
    amber_vdw = 0.0 * omm_unit.kilojoule_per_mole
    for key in ["VDWAALS", "1-4 VDW"]:
        try:
            amber_vdw += amber_energies[key]
        except KeyError:
            pass
    return amber_vdw
def _get_amber_energy_vdw ( amber_energies : Dict ) : amber_vdw = 0.0 * omm_unit . kilojoule_per_mole for key in [ "VDWAALS" , "1-4 VDW" ] : try : amber_vdw += amber_energies [ key ] except KeyError : pass return amber_vdw
Get the total nonbonded energy from a set of Amber energies.
Get the total nonbonded energy from a set of Amber energies .
"""Get the total nonbonded energy from a set of Amber energies."""
amber_energies
Dict