bond_kg Subroutine

public pure subroutine bond_kg(r, specs, enrg, ierr)

Calculates energy for Kremer-Grest bond interaction. If bond length exceeds maximum extensible spring length, an error will be reported as ierr = 1.

Arguments

Type IntentOptional Attributes Name
real(kind=rp), intent(in) :: r
type(ia_specs_t), intent(in) :: specs
real(kind=rp), intent(out) :: enrg
integer, intent(out) :: ierr

Called by

proc~~bond_kg~~CalledByGraph proc~bond_kg bond_kg proc~ia_get_bond_energy ia_get_bond_energy proc~ia_get_bond_energy->proc~bond_kg 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