ommp_qm_helper_set_frozen_atoms Subroutine

public subroutine ommp_qm_helper_set_frozen_atoms(s, n, frozen)

Uses

  • proc~~ommp_qm_helper_set_frozen_atoms~~UsesGraph proc~ommp_qm_helper_set_frozen_atoms ommp_qm_helper_set_frozen_atoms module~mod_topology mod_topology proc~ommp_qm_helper_set_frozen_atoms->module~mod_topology module~mod_adjacency_mat mod_adjacency_mat module~mod_topology->module~mod_adjacency_mat module~mod_memory mod_memory module~mod_topology->module~mod_memory module~mod_adjacency_mat->module~mod_memory module~mod_io mod_io module~mod_memory->module~mod_io module~mod_constants mod_constants module~mod_memory->module~mod_constants iso_c_binding iso_c_binding module~mod_memory->iso_c_binding module~mod_io->module~mod_constants module~mod_constants->iso_c_binding

Arguments

Type IntentOptional Attributes Name
type(ommp_qm_helper), intent(inout), pointer :: s

OpenMMPol system
integer(kind=ommp_integer), intent(in) :: n

Atoms to freeze
integer(kind=ommp_integer), intent(in) :: frozen(n)

Atoms to freeze

Calls

proc~~ommp_qm_helper_set_frozen_atoms~~CallsGraph proc~ommp_qm_helper_set_frozen_atoms ommp_qm_helper_set_frozen_atoms proc~fatal_error fatal_error proc~ommp_qm_helper_set_frozen_atoms->proc~fatal_error proc~set_frozen set_frozen proc~ommp_qm_helper_set_frozen_atoms->proc~set_frozen proc~ommp_message ommp_message proc~fatal_error->proc~ommp_message proc~close_output close_output proc~fatal_error->proc~close_output proc~close_output->proc~ommp_message

Called by

proc~~ommp_qm_helper_set_frozen_atoms~~CalledByGraph proc~ommp_qm_helper_set_frozen_atoms ommp_qm_helper_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