Documentation for module qmmm_topology_util

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source: qmmm_topology_util.F
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public Subroutines/Functions:

Set up the connectivity for QM/MM calculations
Modifies the atom_info%id_atmname

SUBROUTINEqmmm_connectivity_control(molecule_set, qmmm_env, subsys_section)

Set up the connectivity for QM/MM calculations

Arguments:
POINTER
:: molecule_set(:) ...
POINTER
:: qmmm_env ...
POINTER
:: subsys_section ...

SUBROUTINEqmmm_coordinate_control(topology, qmmm_env, subsys_section)

Modifies the atom_info%id_atmname

Arguments:
INTENT(inout)
:: topology ...
POINTER
:: qmmm_env ...
POINTER
:: subsys_section ...