bds_run Subroutine

  1. bd_solver_m.f90
  2. bd_solver_m
  3. bds_run

public subroutine bds_run(nts_beg, simbox, atc, ierr)

Driver for BD integrator.

Repeatedly calls integrate_em or integrate_se to update atom positions.

Arguments

Type IntentOptional AttributesName
integer(kind=ip_long), intent(in) :: nts_beg
type(smbx_t), intent(in), target:: simbox
type(atmcfg_t), intent(inout), target:: atc
integer, intent(out) :: ierr

Error flag

Calls

proc~~bds_run~~CallsGraph proc~bds_run bds_run str_from_num str_from_num proc~bds_run->str_from_num proc~integrate_em integrate_em proc~bds_run->proc~integrate_em proc~integrate_se integrate_se proc~bds_run->proc~integrate_se proc~stats_write stats_write proc~bds_run->proc~stats_write proc~write_dump write_dump proc~bds_run->proc~write_dump proc~stats_accumulate stats_accumulate proc~bds_run->proc~stats_accumulate proc~calc_drift calc_drift proc~integrate_em->proc~calc_drift proc~calc_diffusion calc_diffusion proc~integrate_em->proc~calc_diffusion proc~integrate_se->proc~calc_diffusion proc~nitsol nitsol proc~integrate_se->proc~nitsol proc~compute_ic0 compute_ic0 proc~stats_accumulate->proc~compute_ic0 proc~compute_ic1 compute_ic1 proc~stats_accumulate->proc~compute_ic1 dsymv dsymv proc~calc_drift->dsymv proc~ia_calc_forces ia_calc_forces proc~calc_drift->proc~ia_calc_forces proc~calc_rpy_tensor calc_rpy_tensor proc~calc_diffusion->proc~calc_rpy_tensor proc~brn_calc_dw brn_calc_dw proc~calc_diffusion->proc~brn_calc_dw proc~brn_calc_bdw brn_calc_bdw proc~calc_diffusion->proc~brn_calc_bdw proc~ia_add_bond_forces ia_add_bond_forces proc~ia_calc_forces->proc~ia_add_bond_forces proc~ia_add_vdw_forces ia_add_vdw_forces proc~ia_calc_forces->proc~ia_add_vdw_forces proc~ia_add_tether_forces ia_add_tether_forces proc~ia_calc_forces->proc~ia_add_tether_forces proc~ia_add_external_forces ia_add_external_forces proc~ia_calc_forces->proc~ia_add_external_forces proc~get_rv_gaussian get_rv_gaussian proc~brn_calc_dw->proc~get_rv_gaussian proc~calc_bdw_blanc calc_bdw_blanc proc~brn_calc_bdw->proc~calc_bdw_blanc proc~calc_bdw_cholesky calc_bdw_cholesky proc~brn_calc_bdw->proc~calc_bdw_cholesky proc~calc_bdw_lanc calc_bdw_lanc proc~brn_calc_bdw->proc~calc_bdw_lanc proc~ia_get_bond_force ia_get_bond_force proc~ia_add_bond_forces->proc~ia_get_bond_force dsbevd dsbevd proc~calc_bdw_blanc->dsbevd dorgqr dorgqr proc~calc_bdw_blanc->dorgqr dgeqp3 dgeqp3 proc~calc_bdw_blanc->dgeqp3 dtrmm dtrmm proc~calc_bdw_cholesky->dtrmm dpotrf dpotrf proc~calc_bdw_cholesky->dpotrf vdrnggaussian vdrnggaussian proc~get_rv_gaussian->vdrnggaussian proc~pt_build pt_build proc~ia_add_vdw_forces->proc~pt_build proc~ia_get_vdw_force ia_get_vdw_force proc~ia_add_vdw_forces->proc~ia_get_vdw_force proc~ia_get_tether_force ia_get_tether_force proc~ia_add_tether_forces->proc~ia_get_tether_force proc~bond_harm bond_harm proc~ia_get_bond_force->proc~bond_harm proc~bond_fene bond_fene proc~ia_get_bond_force->proc~bond_fene proc~bond_kg bond_kg proc~ia_get_bond_force->proc~bond_kg proc~bond_ms bond_ms proc~ia_get_bond_force->proc~bond_ms proc~build_pt_cell_list build_pt_cell_list proc~pt_build->proc~build_pt_cell_list proc~build_pt_n2 build_pt_n2 proc~pt_build->proc~build_pt_n2 proc~build_pt_aabbtree build_pt_aabbtree proc~pt_build->proc~build_pt_aabbtree proc~build_pt_verlet build_pt_verlet proc~pt_build->proc~build_pt_verlet proc~teth_rigid teth_rigid proc~ia_get_tether_force->proc~teth_rigid proc~teth_harm teth_harm proc~ia_get_tether_force->proc~teth_harm proc~vdw_lj_coul_debye vdw_lj_coul_debye proc~ia_get_vdw_force->proc~vdw_lj_coul_debye proc~vdw_cosine vdw_cosine proc~ia_get_vdw_force->proc~vdw_cosine proc~vdw_gaussian vdw_gaussian proc~ia_get_vdw_force->proc~vdw_gaussian proc~vdw_lj_coul vdw_lj_coul proc~ia_get_vdw_force->proc~vdw_lj_coul proc~vdw_lj vdw_lj proc~ia_get_vdw_force->proc~vdw_lj proc~vdw_dpd vdw_dpd proc~ia_get_vdw_force->proc~vdw_dpd proc~cl_build cl_build proc~build_pt_cell_list->proc~cl_build proc~cl_get_num_cells cl_get_num_cells proc~build_pt_cell_list->proc~cl_get_num_cells proc~cl_get_nbr_cells cl_get_nbr_cells proc~build_pt_cell_list->proc~cl_get_nbr_cells proc~cl_get_contents cl_get_contents proc~build_pt_cell_list->proc~cl_get_contents interface~str_from_num str_from_num proc~bond_fene->interface~str_from_num interface~ivector_init ivector_init proc~build_pt_aabbtree->interface~ivector_init proc~bond_kg->interface~str_from_num proc~bond_ms->interface~str_from_num interface~ivector_init->interface~ivector_init proc~ivector_from_array ivector_from_array interface~ivector_init->proc~ivector_from_array proc~str_from_ilnum str_from_ilnum interface~str_from_num->proc~str_from_ilnum proc~str_from_inum str_from_inum interface~str_from_num->proc~str_from_inum proc~str_from_dnum str_from_dnum interface~str_from_num->proc~str_from_dnum proc~ivector_from_array->interface~ivector_init proc~str_trimzero str_trimzero proc~str_from_dnum->proc~str_trimzero

Called by

proc~~bds_run~~CalledByGraph proc~bds_run bds_run proc~run run proc~run->proc~bds_run program~main main program~main->proc~run

Contents

None