Documentation for module qmmm_force

Calculates QM/MM energy and forces

source: qmmm_force.F
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public Subroutines/Functions:

calculates the qm/mm energy and forces

SUBROUTINEqmmm_calc_energy_force(qmmm_env, calc_force, consistent_energies, linres)

calculates the qm/mm energy and forces

Arguments:
POINTER
:: qmmm_env ...
LOGICAL,
INTENT(in)
:: calc_force if also the forces should be calculated
LOGICAL,
INTENT(in)
:: consistent_energies ...
LOGICAL,
INTENT(in)
:: linres ...