mcm_res_pivot Subroutine

public subroutine mcm_res_pivot()

Performs a restricted pivot move on the backbone. Does not use a Verlet list. Unlike usual pivot, the rotation axis for is chosen along the bond incident to the pivot point. This move may be useful for molecules that are restricted to be in a stretched conformation or if angular constraints need to be respected.

Arguments

None

Calls

proc~~mcm_res_pivot~~CallsGraph proc~mcm_res_pivot mcm_res_pivot proc~get_iuniform get_iuniform proc~mcm_res_pivot->proc~get_iuniform proc~get_uniform get_uniform proc~mcm_res_pivot->proc~get_uniform proc~ia_calc_atm_angle_energy ia_calc_atm_angle_energy proc~mcm_res_pivot->proc~ia_calc_atm_angle_energy proc~ia_calc_atm_dihedral_energy ia_calc_atm_dihedral_energy proc~mcm_res_pivot->proc~ia_calc_atm_dihedral_energy proc~ia_calc_external_energy ia_calc_external_energy proc~mcm_res_pivot->proc~ia_calc_external_energy proc~ia_calc_vdw_energy ia_calc_vdw_energy proc~mcm_res_pivot->proc~ia_calc_vdw_energy proc~to_com to_com proc~mcm_res_pivot->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_external_energy ia_get_external_energy proc~ia_calc_external_energy->proc~ia_get_external_energy none~is_in itable_t%is_in proc~ia_calc_vdw_energy->none~is_in proc~dqsort dqsort proc~ia_calc_vdw_energy->proc~dqsort proc~ia_get_vdw_energy ia_get_vdw_energy proc~ia_calc_vdw_energy->proc~ia_get_vdw_energy 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~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~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~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_res_pivot~~CalledByGraph proc~mcm_res_pivot mcm_res_pivot proc~mcs_run mcs_run proc~mcs_run->proc~mcm_res_pivot program~main main program~main->proc~mcs_run