set_frozen Subroutine

public subroutine set_frozen(top_obj, frozen_atoms)

Uses

  • proc~~set_frozen~~UsesGraph proc~set_frozen set_frozen module~mod_io mod_io proc~set_frozen->module~mod_io module~mod_constants mod_constants module~mod_io->module~mod_constants iso_c_binding iso_c_binding module~mod_constants->iso_c_binding

Set the frozen atoms in the current topology, if the the frozen atoms has already been set, it reinitialize the whole list, without taking into account the content of [[top_obj%frozen]]

Arguments

Type IntentOptional Attributes Name
type(ommp_topology_type), intent(inout) :: top_obj

Topology object to use
integer(kind=ip), intent(in) :: frozen_atoms(:)

Indexes of atoms to be frozen

Called by

proc~~set_frozen~~CalledByGraph proc~set_frozen set_frozen proc~ommp_set_frozen_atoms ommp_set_frozen_atoms proc~ommp_set_frozen_atoms->proc~set_frozen proc~ommp_qm_helper_set_frozen_atoms ommp_qm_helper_set_frozen_atoms proc~ommp_qm_helper_set_frozen_atoms->proc~set_frozen proc~c_ommp_set_frozen_atoms C_ommp_set_frozen_atoms proc~c_ommp_set_frozen_atoms->proc~ommp_set_frozen_atoms proc~c_ommp_qm_helper_set_frozen_atoms C_ommp_qm_helper_set_frozen_atoms proc~c_ommp_qm_helper_set_frozen_atoms->proc~ommp_qm_helper_set_frozen_atoms

Contents