mol_force.F File Reference

#include "./base/base_uses.f90"

Go to the source code of this file.

Modules
module	mol_force

Functions/Subroutines
subroutine, public	mol_force::force_bonds (id_type, rij, r0, k, cs, energy, fscalar)
	Computes the forces from the bonds.
subroutine, public	mol_force::force_bends (id_type, b12, b32, d12, d32, id12, id32, dist, theta, theta0, k, cb, r012, r032, kbs12, kbs32, kss, legendre, g1, g2, g3, energy, fscalar)
	Computes the forces from the bends.
subroutine, public	mol_force::force_torsions (id_type, s32, is32, ism, isn, dist1, dist2, tm, tn, t12, k, phi0, m, gt1, gt2, gt3, gt4, energy, fscalar)
	Computes the forces from the torsions.
subroutine, public	mol_force::force_imp_torsions (id_type, s32, is32, ism, isn, dist1, dist2, tm, tn, t12, k, phi0, gt1, gt2, gt3, gt4, energy, fscalar)
	Computes the forces from the improper torsions.
subroutine, public	mol_force::force_opbends (id_type, s32, tm, t41, t42, t43, k, phi0, gt1, gt2, gt3, gt4, energy, fscalar)
	Computes the forces from the out of plane bends.
subroutine, public	mol_force::get_pv_bond (f12, r12, pv_bond)
	Computes the pressure tensor from the bonds.
subroutine, public	mol_force::get_pv_bend (f1, f3, r12, r32, pv_bend)
	Computes the pressure tensor from the bends.
subroutine, public	mol_force::get_pv_torsion (f1, f3, f4, r12, r32, r43, pv_torsion)
	Computes the pressure tensor from the torsions (also used for impr and opbend)