ia_get_dihedral_energy Subroutine

public subroutine ia_get_dihedral_energy(ri, rj, rk, rl, specs, enrg)

Calculates the energy due to a dihedral.

Arguments

Type IntentOptional Attributes Name
real(kind=rp), intent(in), dimension(3) :: ri
real(kind=rp), intent(in), dimension(3) :: rj
real(kind=rp), intent(in), dimension(3) :: rk
real(kind=rp), intent(in), dimension(3) :: rl
type(ia_specs_t), intent(in) :: specs
real(kind=rp), intent(out) :: enrg

Called by

proc~~ia_get_dihedral_energy~~CalledByGraph proc~ia_get_dihedral_energy ia_get_dihedral_energy proc~ia_calc_atm_dihedral_energy ia_calc_atm_dihedral_energy proc~ia_calc_atm_dihedral_energy->proc~ia_get_dihedral_energy proc~ia_calc_dihedral_energy ia_calc_dihedral_energy proc~ia_calc_dihedral_energy->proc~ia_get_dihedral_energy proc~ia_calc_energy ia_calc_energy proc~ia_calc_energy->proc~ia_calc_dihedral_energy proc~mcm_crnk mcm_crnk proc~mcm_crnk->proc~ia_calc_atm_dihedral_energy proc~mcm_dbl_pivot mcm_dbl_pivot proc~mcm_dbl_pivot->proc~ia_calc_atm_dihedral_energy proc~mcm_dspl mcm_dspl proc~mcm_dspl->proc~ia_calc_atm_dihedral_energy proc~mcm_pivot mcm_pivot proc~mcm_pivot->proc~ia_calc_atm_dihedral_energy proc~mcm_res_pivot mcm_res_pivot proc~mcm_res_pivot->proc~ia_calc_atm_dihedral_energy proc~mcm_sc_crnk mcm_sc_crnk proc~mcm_sc_crnk->proc~ia_calc_atm_dihedral_energy proc~mcm_sc_pivot mcm_sc_pivot proc~mcm_sc_pivot->proc~ia_calc_atm_dihedral_energy proc~mcs_run mcs_run proc~mcs_run->proc~ia_calc_energy proc~mcs_run->proc~mcm_crnk proc~mcs_run->proc~mcm_dbl_pivot proc~mcs_run->proc~mcm_dspl proc~mcs_run->proc~mcm_pivot proc~mcs_run->proc~mcm_res_pivot proc~mcs_run->proc~mcm_sc_crnk proc~mcs_run->proc~mcm_sc_pivot program~main main program~main->proc~mcs_run