pt_init Subroutine

public subroutine pt_init(mth, num_atoms, excl_atoms, rcut, tskn, bonds, simbox, pair_tab)

Performs initial setup for building a pair list.

Arguments

Type IntentOptional Attributes Name
character(len=*), intent(in) :: mth
integer, intent(in) :: num_atoms
integer, intent(in) :: excl_atoms
real(kind=rp), intent(in) :: rcut
real(kind=rp), intent(in) :: tskn
integer, intent(in), dimension(:,:) :: bonds
type(smbx_t), intent(in) :: simbox
type(itable_t), intent(inout) :: pair_tab

Calls

proc~~pt_init~~CallsGraph proc~pt_init pt_init interface~init aabbtree_t%init proc~pt_init->interface~init proc~atat_build atat_build proc~pt_init->proc~atat_build proc~atbo_build atbo_build proc~pt_init->proc~atbo_build proc~cl_build_cell_nbrs cl_build_cell_nbrs proc~pt_init->proc~cl_build_cell_nbrs proc~cl_init cl_init proc~pt_init->proc~cl_init proc~cl_set_cell_size cl_set_cell_size proc~pt_init->proc~cl_set_cell_size proc~exat_build exat_build proc~pt_init->proc~exat_build proc~itbl_delete itable_t%itbl_delete proc~pt_init->proc~itbl_delete proc~itbl_init itbl_init proc~pt_init->proc~itbl_init proc~init init interface~init->proc~init proc~atat_build->proc~itbl_init interface~ivector_init ivector_init proc~atat_build->interface~ivector_init proc~itbl_get_row itable_t%itbl_get_row proc~atat_build->proc~itbl_get_row proc~itbl_shrink_to_fit itable_t%itbl_shrink_to_fit proc~atat_build->proc~itbl_shrink_to_fit proc~ivector_append ivector_t%ivector_append proc~atat_build->proc~ivector_append proc~ivector_clear ivector_t%ivector_clear proc~atat_build->proc~ivector_clear proc~ivector_get_val ivector_t%ivector_get_val proc~atat_build->proc~ivector_get_val proc~ivector_unique ivector_t%ivector_unique proc~atat_build->proc~ivector_unique proc~atbo_build->proc~itbl_init proc~atbo_build->interface~ivector_init proc~atbo_build->proc~itbl_shrink_to_fit proc~atbo_build->proc~ivector_append proc~ivector_delete ivector_t%ivector_delete proc~atbo_build->proc~ivector_delete proc~atbo_build->proc~ivector_get_val proc~ivector_sort ivector_t%ivector_sort proc~atbo_build->proc~ivector_sort proc~cl_build_cell_nbrs->proc~ivector_append proc~ivector_shrink_to_fit ivector_t%ivector_shrink_to_fit proc~cl_build_cell_nbrs->proc~ivector_shrink_to_fit proc~cl_init->interface~ivector_init proc~exat_build->proc~itbl_init proc~exat_build->interface~ivector_init proc~exat_build->proc~itbl_get_row proc~exat_build->proc~itbl_shrink_to_fit proc~exat_build->proc~ivector_append proc~exat_build->proc~ivector_clear proc~exat_build->proc~ivector_get_val proc~exat_build->proc~ivector_unique proc~itbl_delete->proc~ivector_delete proc~itbl_init->interface~ivector_init interface~ivector_init->interface~ivector_init proc~ivector_from_array ivector_from_array interface~ivector_init->proc~ivector_from_array proc~init->interface~ivector_init interface~node_init node_t%node_init proc~init->interface~node_init proc~ivector_get_data ivector_t%ivector_get_data proc~itbl_get_row->proc~ivector_get_data proc~itbl_shrink_to_fit->proc~ivector_shrink_to_fit proc~iqsort iqsort proc~ivector_sort->proc~iqsort proc~ivector_unique->proc~iqsort proc~node_init node_init interface~node_init->proc~node_init proc~ivector_from_array->interface~ivector_init proc~aabb_init aabb_t%aabb_init proc~node_init->proc~aabb_init proc~aabb_calc_center aabb_t%aabb_calc_center proc~aabb_init->proc~aabb_calc_center proc~aabb_calc_srfarea aabb_t%aabb_calc_srfarea proc~aabb_init->proc~aabb_calc_srfarea

Called by

proc~~pt_init~~CalledByGraph proc~pt_init pt_init 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