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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15560 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2016-09-07 17:17:53 +00:00
parent ee4a1f0452
commit 06b7d56e16
2 changed files with 8 additions and 8 deletions
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14
src/MANYBODY/pair_vashishta.h
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@ -17,8 +17,8 @@ PairStyle(vashishta,PairVashishta)
#else
#ifndef LMP_PAIR_Vashishta_H
#define LMP_PAIR_Vashishta_H
#ifndef LMP_PAIR_VASHISHITA_H
#define LMP_PAIR_VASHISHITA_H
#include "pair.h"
@ -29,10 +29,10 @@ class PairVashishta : public Pair {
PairVashishta(class LAMMPS *);
virtual ~PairVashishta();
virtual void compute(int, int);
void settings(int, char **);
virtual void settings(int, char **);
void coeff(int, char **);
virtual double init_one(int, int);
virtual void init_style();
double init_one(int, int);
void init_style();
protected:
struct Param {
@ -55,9 +55,9 @@ class PairVashishta : public Pair {
int maxparam; // max # of parameter sets
Param *params; // parameter set for an I-J-K interaction
virtual void allocate();
void allocate();
void read_file(char *);
void setup_params();
virtual void setup_params();
void twobody(Param *, double, double &, int, double &);
void threebody(Param *, Param *, Param *, double, double, double *, double *,
double *, double *, int, double &);