#include <gromacs/mdtypes/interaction_const.h>

Description

Settings and parameters for Coulomb functional forms.

Public Attributes
CoulombInteractionType	type = CoulombInteractionType::Cut
	Cutoff distance.

InteractionModifiers	modifier = InteractionModifiers::None
	The potential modifier.

real	cutoff = 1
	Cutoff distance.

real	switchDistance = 0
	Switch distance for potential and force switch.

real	ewaldCoeff = 0
	Ewald splitting coefficient.

real	ewaldShift = 0
	-ewaldShift is added to the direct space potential

real	epsilon_r = 1

real	epsfac = 1
	The electrostatics constant.

real	reactionFieldCoefficient = 0
	Coefficient for reaction field; scales relation between epsilon_r and reactionFieldPermitivity.

real	reactionFieldShift = 0
	Constant shift to reaction field Coulomb interaction to make the potential the integral of the force.

The documentation for this struct was generated from the following file:

Public Attributes