pair_potential_util.F File Reference

#include "./base/base_uses.f90"

Go to the source code of this file.

Modules
module	pair_potential_util

Functions/Subroutines
real(kind=dp) function, public	pair_potential_util::ener_pot (pot, r, energy_cutoff)
	Evaluates the nonbond potential energy for the implemented FF kinds.
real(kind=dp) function, public	pair_potential_util::ener_zbl (pot, r)
	Evaluates the ZBL scattering potential, very short range Only shell-model for interactions among pairs without repulsive term.
subroutine, public	pair_potential_util::zbl_matching_polinomial (pot, rcov1, rcov2, z1, z2)
	Determine the polinomial coefficients used to set to zero the zbl potential at the cutoff radius, with continuity in function, first and second derivative Only shell-model for interactions among pairs without repulsive term.