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Commit df8dbec6 authored by Tonnam Balankura's avatar Tonnam Balankura
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rename pair_zhou to pair_momb in src and change class name from PairZhou to PairMomb

parent 1075be7e
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......@@ -16,7 +16,7 @@
#include <math.h>
#include <stdio.h>
#include <stdlib.h>
#include "pair_zhou.h"
#include "pair_momb.h"
#include "atom.h"
#include "comm.h"
#include "force.h"
......@@ -28,11 +28,11 @@ using namespace LAMMPS_NS;
/* ---------------------------------------------------------------------- */
PairZhou::PairZhou(LAMMPS *lmp) : Pair(lmp) {}
PairMomb::PairMomb(LAMMPS *lmp) : Pair(lmp) {}
/* ---------------------------------------------------------------------- */
PairZhou::~PairZhou()
PairMomb::~PairMomb()
{
if (allocated) {
memory->destroy(setflag);
......@@ -51,7 +51,7 @@ PairZhou::~PairZhou()
/* ---------------------------------------------------------------------- */
void PairZhou::compute(int eflag, int vflag)
void PairMomb::compute(int eflag, int vflag)
{
int i,j,ii,jj,inum,jnum,itype,jtype;
double xtmp,ytmp,ztmp,delx,dely,delz,evdwl,fpair;
......@@ -138,7 +138,7 @@ void PairZhou::compute(int eflag, int vflag)
allocate all arrays
------------------------------------------------------------------------- */
void PairZhou::allocate()
void PairMomb::allocate()
{
allocated = 1;
int n = atom->ntypes;
......@@ -164,7 +164,7 @@ void PairZhou::allocate()
global settings
------------------------------------------------------------------------- */
void PairZhou::settings(int narg, char **arg)
void PairMomb::settings(int narg, char **arg)
{
if (narg != 3) error->all(FLERR,"Illegal pair_style command");
......@@ -186,7 +186,7 @@ void PairZhou::settings(int narg, char **arg)
set coeffs for one or more type pairs
------------------------------------------------------------------------- */
void PairZhou::coeff(int narg, char **arg)
void PairMomb::coeff(int narg, char **arg)
{
if (narg < 7 || narg > 8)
error->all(FLERR,"Incorrect args for pair coefficients");
......@@ -228,7 +228,7 @@ void PairZhou::coeff(int narg, char **arg)
init for one type pair i,j and corresponding j,i
------------------------------------------------------------------------- */
double PairZhou::init_one(int i, int j)
double PairMomb::init_one(int i, int j)
{
if (setflag[i][j] == 0) error->all(FLERR,"All pair coeffs are not set");
......@@ -254,7 +254,7 @@ double PairZhou::init_one(int i, int j)
proc 0 writes to restart file
------------------------------------------------------------------------- */
void PairZhou::write_restart(FILE *fp)
void PairMomb::write_restart(FILE *fp)
{
write_restart_settings(fp);
......@@ -277,7 +277,7 @@ void PairZhou::write_restart(FILE *fp)
proc 0 reads from restart file, bcasts
------------------------------------------------------------------------- */
void PairZhou::read_restart(FILE *fp)
void PairMomb::read_restart(FILE *fp)
{
read_restart_settings(fp);
......@@ -312,7 +312,7 @@ void PairZhou::read_restart(FILE *fp)
proc 0 writes to restart file
------------------------------------------------------------------------- */
void PairZhou::write_restart_settings(FILE *fp)
void PairMomb::write_restart_settings(FILE *fp)
{
fwrite(&cut_global,sizeof(double),1,fp);
fwrite(&sscale,sizeof(double),1,fp);
......@@ -325,7 +325,7 @@ void PairZhou::write_restart_settings(FILE *fp)
proc 0 reads from restart file, bcasts
------------------------------------------------------------------------- */
void PairZhou::read_restart_settings(FILE *fp)
void PairMomb::read_restart_settings(FILE *fp)
{
if (comm->me == 0) {
fread(&cut_global,sizeof(double),1,fp);
......@@ -343,7 +343,7 @@ void PairZhou::read_restart_settings(FILE *fp)
/* ---------------------------------------------------------------------- */
double PairZhou::single(int i, int j, int itype, int jtype, double rsq,
double PairMomb::single(int i, int j, int itype, int jtype, double rsq,
double factor_coul, double factor_lj,
double &fforce)
{
......
......@@ -15,21 +15,21 @@
#ifdef PAIR_CLASS
PairStyle(zhou,PairZhou)
PairStyle(momb,PairMomb)
#else
#ifndef LMP_PAIR_ZHOU_H
#define LMP_PAIR_ZHOU_H
#ifndef LMP_PAIR_MOMB_H
#define LMP_PAIR_MOMB_H
#include "pair.h"
namespace LAMMPS_NS {
class PairZhou : public Pair {
class PairMomb : public Pair {
public:
PairZhou(class LAMMPS *);
virtual ~PairZhou();
PairMomb(class LAMMPS *);
virtual ~PairMomb();
virtual void compute(int, int);
virtual void settings(int, char **);
......
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