(git:e7e05ae)
qmmm_topology_util.F File Reference

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Modules

module  qmmm_topology_util
 

Functions/Subroutines

subroutine, public qmmm_topology_util::qmmm_coordinate_control (topology, qmmm_env, subsys_section)
 Modifies the atom_infoid_atmname. More...
 
subroutine, public qmmm_topology_util::qmmm_connectivity_control (molecule_set, qmmm_env, subsys_section)
 Set up the connectivity for QM/MM calculations. More...