check_conn_matrix Subroutine

public subroutine check_conn_matrix(top_obj, n)

Uses

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

Check if adjacency matrix up to nth order is present in topology object. If it is not present, update the topology accordingly.

Arguments

Type IntentOptional Attributes Name
type(ommp_topology_type), intent(inout) :: top_obj
integer(kind=ip), intent(in) :: n

Calls

proc~~check_conn_matrix~~CallsGraph proc~check_conn_matrix check_conn_matrix proc~fatal_error fatal_error proc~check_conn_matrix->proc~fatal_error proc~copy_yale_sparse copy_yale_sparse proc~check_conn_matrix->proc~copy_yale_sparse proc~free_yale_sparse free_yale_sparse proc~check_conn_matrix->proc~free_yale_sparse proc~build_conn_upto_n build_conn_upto_n proc~check_conn_matrix->proc~build_conn_upto_n proc~ommp_message ommp_message proc~fatal_error->proc~ommp_message proc~close_output close_output proc~fatal_error->proc~close_output proc~build_conn_upto_n->proc~copy_yale_sparse proc~build_conn_upto_n->proc~free_yale_sparse proc~sparse_identity sparse_identity proc~build_conn_upto_n->proc~sparse_identity proc~mat_mult mat_mult proc~build_conn_upto_n->proc~mat_mult proc~mat_andnot mat_andnot proc~build_conn_upto_n->proc~mat_andnot proc~reallocate_mat reallocate_mat proc~mat_mult->proc~reallocate_mat proc~close_output->proc~ommp_message proc~mat_andnot->proc~reallocate_mat

Called by

proc~~check_conn_matrix~~CalledByGraph proc~check_conn_matrix check_conn_matrix proc~init_vdw_for_link_atom init_vdw_for_link_atom proc~init_vdw_for_link_atom->proc~check_conn_matrix proc~mmpol_init_from_xyz mmpol_init_from_xyz proc~mmpol_init_from_xyz->proc~check_conn_matrix proc~ommp_system_from_qm_helper ommp_system_from_qm_helper proc~ommp_system_from_qm_helper->proc~check_conn_matrix proc~init_bonded_for_link_atom init_bonded_for_link_atom proc~init_bonded_for_link_atom->proc~check_conn_matrix proc~ommp_create_link_atom ommp_create_link_atom proc~ommp_create_link_atom->proc~init_vdw_for_link_atom proc~ommp_create_link_atom->proc~init_bonded_for_link_atom proc~c_ommp_system_from_qm_helper C_ommp_system_from_qm_helper proc~c_ommp_system_from_qm_helper->proc~ommp_system_from_qm_helper proc~ommp_init_xyz ommp_init_xyz proc~ommp_init_xyz->proc~mmpol_init_from_xyz proc~c_ommp_create_link_atom C_ommp_create_link_atom proc~c_ommp_create_link_atom->proc~ommp_create_link_atom proc~c_ommp_init_xyz C_ommp_init_xyz proc~c_ommp_init_xyz->proc~ommp_init_xyz

Contents