Documentation for module qmmm_gpw_forces

Routines to compute energy and forces in a QM/MM calculation

source: qmmm_gpw_forces.F
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public Subroutines/Functions:

General driver to Compute the contribution to the forces due to the QM/MM potential

SUBROUTINEqmmm_forces(qs_env, qmmm_env, mm_particles, calc_force, mm_cell)

General driver to Compute the contribution to the forces due to the QM/MM potential

Arguments:
POINTER
:: qs_env ...
POINTER
:: qmmm_env ...
POINTER
:: mm_particles(:) ...
LOGICAL,
INTENT(in),
OPTIONAL
:: calc_force ...
TYPE(cell_type),
POINTER
:: mm_cell ...