ia_get_dihedral_force Subroutine

public subroutine ia_get_dihedral_force(q1, q2, q3, sty, params, enrg, fi, fj, fk, fl)

Calculates the force & energy due to a dihedral.

Arguments

Type IntentOptional Attributes Name
real(kind=rp), intent(in), dimension(3) :: q1
real(kind=rp), intent(in), dimension(3) :: q2
real(kind=rp), intent(in), dimension(3) :: q3
integer, intent(in) :: sty
real(kind=rp), intent(in), dimension(:) :: params
real(kind=rp), intent(out) :: enrg
real(kind=rp), intent(out), dimension(3) :: fi
real(kind=rp), intent(out), dimension(3) :: fj
real(kind=rp), intent(out), dimension(3) :: fk
real(kind=rp), intent(out), dimension(3) :: fl

Called by

proc~~ia_get_dihedral_force~~CalledByGraph proc~ia_get_dihedral_force ia_get_dihedral_force proc~ia_add_dihedral_forces ia_add_dihedral_forces proc~ia_add_dihedral_forces->proc~ia_get_dihedral_force proc~ia_calc_forces ia_calc_forces proc~ia_calc_forces->proc~ia_add_dihedral_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