ia_get_tether_force Subroutine

public subroutine ia_get_tether_force(qmag, sty, params, enrg, frc, ierr)

Calculates the energy and its derivative due to a tether.

Arguments

Type IntentOptional Attributes Name
real(kind=rp), intent(in) :: qmag

Distance between the tethered atom & the tether point
integer, intent(in) :: sty

Tether style
real(kind=rp), intent(in), dimension(:) :: params

Parameters for tether interaction
real(kind=rp), intent(out) :: enrg

Energy due to this tether
real(kind=rp), intent(out) :: frc
integer, intent(out) :: ierr

Error flag

Calls

proc~~ia_get_tether_force~~CallsGraph proc~ia_get_tether_force ia_get_tether_force proc~teth_harm teth_harm proc~ia_get_tether_force->proc~teth_harm proc~teth_rigid teth_rigid proc~ia_get_tether_force->proc~teth_rigid

Called by

proc~~ia_get_tether_force~~CalledByGraph proc~ia_get_tether_force ia_get_tether_force proc~ia_add_tether_forces ia_add_tether_forces proc~ia_add_tether_forces->proc~ia_get_tether_force proc~ia_calc_forces ia_calc_forces proc~ia_calc_forces->proc~ia_add_tether_forces proc~calc_drift calc_drift proc~calc_drift->proc~ia_calc_forces proc~integrate_em integrate_em proc~integrate_em->proc~calc_drift proc~se_fval se_fval proc~se_fval->proc~calc_drift proc~bds_run bds_run proc~bds_run->proc~integrate_em proc~run run proc~run->proc~bds_run program~main main program~main->proc~run