ifunc.cpp File Reference

#include "gmxpre.h"
#include "gromacs/topology/ifunc.h"

Include dependency graph for ifunc.cpp:

Description

Defines interaction functions.

Functions
static constexpr t_interaction_function	def_bonded (const char *str, const char *lstr, int nra, int nrpa, int nrpb)
static constexpr t_interaction_function	def_pair (const char *str, const char *lstr, int nra, int nrpa, int nrpb)
static constexpr t_interaction_function	def_bondedt (const char *str, const char *lstr, int nra, int nrpa, int nrpb)
static constexpr t_interaction_function	def_bondedtz (const char *str, const char *lstr, int nra, int nrpa, int nrpb)
static constexpr t_interaction_function	def_angle (const char *str, const char *lstr, int nra, int nrpa, int nrpb)
static constexpr t_interaction_function	def_dihedral (const char *str, const char *lstr, int nra, int nrpa, int nrpb)
static constexpr t_interaction_function	def_dihedral_tabulated (const char *str, const char *lstr, int nra, int nrpa, int nrpb)
static constexpr t_interaction_function	def_bond (const char *str, const char *lstr, int nra, int nrpa, int nrpb)
static constexpr t_interaction_function	def_bondt (const char *str, const char *lstr, int nra, int nrpa, int nrpb)
static constexpr t_interaction_function	def_bondnb (const char *str, const char *lstr, int nra, int nrpa, int nrpb)
static constexpr t_interaction_function	def_vsite (const char *str, const char *lstr, int nra, int nrpa)
static constexpr t_interaction_function	def_shk (const char *str, const char *lstr, int nra, int nrpa, int nrpb)
static constexpr t_interaction_function	def_shkcb (const char *str, const char *lstr, int nra, int nrpa, int nrpb)
static constexpr t_interaction_function	def_nb (const char *str, const char *lstr, int nra, int nrpa)
static constexpr t_interaction_function	def_nofc (const char *str, const char *lstr)

Variables
const t_interaction_function	interaction_function [F_NRE]
	Interaction function definitions. More...

Variable Documentation

const t_interaction_function interaction_function[F_NRE]

Interaction function definitions.

Initialised interaction functions descriptor.

This MUST correspond to the enum in api/legacy/include/gromacs/topology/ifunc.h.

Note also that the longname field of the interaction is used for printing e.g. the mdrun log file in a columnar style, and pr_ebin makes available only 14 printing characters (ie not including the terminating '\0'). So please abbreviate accordingly, e.g. "Conserved En."