ia_get_angle_force Subroutine

public subroutine ia_get_angle_force(q1, q2, sty, params, enrg, fim1, fi, fip1)

Calculates the energy & force due to an angle.

Arguments

Type IntentOptional Attributes Name
real(kind=rp), intent(in), dimension(3) :: q1
real(kind=rp), intent(in), dimension(3) :: q2
integer, intent(in) :: sty
real(kind=rp), intent(in), dimension(:) :: params
real(kind=rp), intent(out) :: enrg
real(kind=rp), intent(out), dimension(3) :: fim1
real(kind=rp), intent(out), dimension(3) :: fi
real(kind=rp), intent(out), dimension(3) :: fip1

Called by

proc~~ia_get_angle_force~~CalledByGraph proc~ia_get_angle_force ia_get_angle_force proc~ia_add_angle_forces ia_add_angle_forces proc~ia_add_angle_forces->proc~ia_get_angle_force proc~ia_calc_forces ia_calc_forces proc~ia_calc_forces->proc~ia_add_angle_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