mcm_crnk Subroutine

public subroutine mcm_crnk(is_ring)

Performs crankshaft move (including end-bond rotation) on an unbranched chain or ring. End-bond rotation will not be performed for rings.

Arguments

Type IntentOptional Attributes Name
logical, intent(in) :: is_ring

Calls

proc~~mcm_crnk~~CallsGraph proc~mcm_crnk mcm_crnk proc~get_iuniform get_iuniform proc~mcm_crnk->proc~get_iuniform proc~get_uniform get_uniform proc~mcm_crnk->proc~get_uniform proc~ia_calc_atm_angle_energy ia_calc_atm_angle_energy proc~mcm_crnk->proc~ia_calc_atm_angle_energy proc~ia_calc_atm_dihedral_energy ia_calc_atm_dihedral_energy proc~mcm_crnk->proc~ia_calc_atm_dihedral_energy proc~ia_calc_atm_tether_energy ia_calc_atm_tether_energy proc~mcm_crnk->proc~ia_calc_atm_tether_energy proc~ia_calc_atm_vdw_energy ia_calc_atm_vdw_energy proc~mcm_crnk->proc~ia_calc_atm_vdw_energy proc~ia_calc_atm_vdw_energy_vl ia_calc_atm_vdw_energy_vl proc~mcm_crnk->proc~ia_calc_atm_vdw_energy_vl proc~ia_calc_external_energy ia_calc_external_energy proc~mcm_crnk->proc~ia_calc_external_energy proc~ransphere ransphere proc~mcm_crnk->proc~ransphere proc~to_com to_com proc~mcm_crnk->proc~to_com virnguniform virnguniform proc~get_iuniform->virnguniform vdrnguniform vdrnguniform proc~get_uniform->vdrnguniform none~get_row itable_t%get_row proc~ia_calc_atm_angle_energy->none~get_row proc~ia_get_angle_energy ia_get_angle_energy proc~ia_calc_atm_angle_energy->proc~ia_get_angle_energy proc~ia_calc_atm_dihedral_energy->none~get_row proc~ia_get_dihedral_energy ia_get_dihedral_energy proc~ia_calc_atm_dihedral_energy->proc~ia_get_dihedral_energy proc~ia_get_tether_energy ia_get_tether_energy proc~ia_calc_atm_tether_energy->proc~ia_get_tether_energy none~is_in itable_t%is_in proc~ia_calc_atm_vdw_energy->none~is_in proc~ia_get_vdw_energy ia_get_vdw_energy proc~ia_calc_atm_vdw_energy->proc~ia_get_vdw_energy proc~ia_calc_atm_vdw_energy_vl->none~get_row proc~ia_calc_atm_vdw_energy_vl->proc~ia_get_vdw_energy proc~verlet_build verlet_build proc~ia_calc_atm_vdw_energy_vl->proc~verlet_build proc~ia_get_external_energy ia_get_external_energy proc~ia_calc_external_energy->proc~ia_get_external_energy proc~get_rv_uniform get_rv_uniform proc~ransphere->proc~get_rv_uniform proc~ivector_get_data ivector_t%ivector_get_data none~get_row->proc~ivector_get_data proc~ivector_get_val ivector_t%ivector_get_val none~is_in->proc~ivector_get_val proc~get_rv_uniform->vdrnguniform proc~ang_cos ang_cos proc~ia_get_angle_energy->proc~ang_cos proc~ang_harm ang_harm proc~ia_get_angle_energy->proc~ang_harm proc~ang_tab ang_tab proc~ia_get_angle_energy->proc~ang_tab proc~teth_fene teth_fene proc~ia_get_tether_energy->proc~teth_fene proc~teth_harm teth_harm proc~ia_get_tether_energy->proc~teth_harm proc~vdw_gaussian vdw_gaussian proc~ia_get_vdw_energy->proc~vdw_gaussian proc~vdw_hs vdw_hs proc~ia_get_vdw_energy->proc~vdw_hs proc~vdw_lj vdw_lj proc~ia_get_vdw_energy->proc~vdw_lj proc~vdw_sqwell vdw_sqwell proc~ia_get_vdw_energy->proc~vdw_sqwell proc~vdw_tab vdw_tab proc~ia_get_vdw_energy->proc~vdw_tab proc~verlet_build->none~is_in none~append itable_t%append proc~verlet_build->none~append none~clear~2 itable_t%clear proc~verlet_build->none~clear~2 none~shrink_to_fit itable_t%shrink_to_fit proc~verlet_build->none~shrink_to_fit proc~ivector_append ivector_t%ivector_append none~append->proc~ivector_append proc~ivector_clear ivector_t%ivector_clear none~clear~2->proc~ivector_clear proc~ivector_shrink_to_fit ivector_t%ivector_shrink_to_fit none~shrink_to_fit->proc~ivector_shrink_to_fit proc~spline_cubic_val spline_cubic_val proc~ang_tab->proc~spline_cubic_val proc~spline_linear_val spline_linear_val proc~ang_tab->proc~spline_linear_val proc~vdw_tab->proc~spline_cubic_val proc~vdw_tab->proc~spline_linear_val proc~r8vec_bracket r8vec_bracket proc~spline_cubic_val->proc~r8vec_bracket proc~spline_linear_val->proc~r8vec_bracket

Called by

proc~~mcm_crnk~~CalledByGraph proc~mcm_crnk mcm_crnk proc~mcs_run mcs_run proc~mcs_run->proc~mcm_crnk program~main main program~main->proc~mcs_run