ia_get_bond_energy Subroutine

public subroutine ia_get_bond_energy(ri, rj, specs, enrg, ierr)

Calculates the energy due to a bond.

Arguments

Type IntentOptional Attributes Name
real(kind=rp), intent(in), dimension(3) :: ri

Coordinate of atom i
real(kind=rp), intent(in), dimension(3) :: rj

Coordinate of atom j
type(ia_specs_t), intent(in) :: specs
real(kind=rp), intent(out) :: enrg
integer, intent(out) :: ierr

Calls

proc~~ia_get_bond_energy~~CallsGraph proc~ia_get_bond_energy ia_get_bond_energy proc~bond_fene bond_fene proc~ia_get_bond_energy->proc~bond_fene proc~bond_harm bond_harm proc~ia_get_bond_energy->proc~bond_harm proc~bond_kg bond_kg proc~ia_get_bond_energy->proc~bond_kg proc~bond_tab bond_tab proc~ia_get_bond_energy->proc~bond_tab proc~spline_cubic_val spline_cubic_val proc~bond_tab->proc~spline_cubic_val proc~spline_linear_val spline_linear_val proc~bond_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~~ia_get_bond_energy~~CalledByGraph proc~ia_get_bond_energy ia_get_bond_energy proc~ia_calc_atm_bond_energy ia_calc_atm_bond_energy proc~ia_calc_atm_bond_energy->proc~ia_get_bond_energy proc~ia_calc_bond_energy ia_calc_bond_energy proc~ia_calc_bond_energy->proc~ia_get_bond_energy proc~ia_calc_energy ia_calc_energy proc~ia_calc_energy->proc~ia_calc_bond_energy proc~mcm_dspl mcm_dspl proc~mcm_dspl->proc~ia_calc_atm_bond_energy proc~mcs_run mcs_run proc~mcs_run->proc~ia_calc_energy proc~mcs_run->proc~mcm_dspl program~main main program~main->proc~mcs_run