exat_build Subroutine

public subroutine exat_build(num_atoms, excluded_atoms, atat_tab, exat_tab)

Before a call to this first build atbo_tab.

Arguments

Type IntentOptional Attributes Name
integer, intent(in) :: num_atoms
integer, intent(in) :: excluded_atoms
type(itable_t), intent(in) :: atat_tab

Atoms -> bonded atoms table
type(itable_t), intent(out) :: exat_tab

Atoms -> excluded (from vdw calculation) atoms table

Calls

proc~~exat_build~~CallsGraph proc~exat_build exat_build interface~ivector_init ivector_init proc~exat_build->interface~ivector_init proc~itbl_get_row itable_t%itbl_get_row proc~exat_build->proc~itbl_get_row proc~itbl_init itbl_init proc~exat_build->proc~itbl_init proc~itbl_shrink_to_fit itable_t%itbl_shrink_to_fit proc~exat_build->proc~itbl_shrink_to_fit proc~ivector_append ivector_t%ivector_append proc~exat_build->proc~ivector_append proc~ivector_clear ivector_t%ivector_clear proc~exat_build->proc~ivector_clear proc~ivector_get_val ivector_t%ivector_get_val proc~exat_build->proc~ivector_get_val proc~ivector_unique ivector_t%ivector_unique proc~exat_build->proc~ivector_unique interface~ivector_init->interface~ivector_init proc~ivector_from_array ivector_from_array interface~ivector_init->proc~ivector_from_array proc~ivector_get_data ivector_t%ivector_get_data proc~itbl_get_row->proc~ivector_get_data proc~itbl_init->interface~ivector_init proc~ivector_shrink_to_fit ivector_t%ivector_shrink_to_fit proc~itbl_shrink_to_fit->proc~ivector_shrink_to_fit proc~iqsort iqsort proc~ivector_unique->proc~iqsort proc~ivector_from_array->interface~ivector_init

Called by

proc~~exat_build~~CalledByGraph proc~exat_build exat_build proc~pt_init pt_init proc~pt_init->proc~exat_build proc~ia_setup ia_setup proc~ia_setup->proc~pt_init proc~run run proc~run->proc~ia_setup program~main main program~main->proc~run