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lammps
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3026 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2009-08-08 21:20:01 +00:00
parent 0506e62879
commit 86f62f2ba0
2 changed files with 9 additions and 9 deletions
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2
src/pair_buck_coul_cut.cpp
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@ -261,7 +261,7 @@ void PairBuckCoulCut::coeff(int narg, char **arg)
void PairBuckCoulCut::init_style()
{
if (!atom->q_flag)
error->all("Pair style buck/coul/cut requires atom attribute q");
error->all("Pair style buck/coul requires atom attribute q");
int irequest = neighbor->request(this);
}

16
src/pair_buck_coul_cut.h
View File

@ -21,19 +21,19 @@ namespace LAMMPS_NS {
class PairBuckCoulCut : public Pair {
public:
PairBuckCoulCut(class LAMMPS *);
~PairBuckCoulCut();
void compute(int, int);
void settings(int, char **);
virtual ~PairBuckCoulCut();
virtual void compute(int, int);
virtual void settings(int, char **);
void coeff(int, char **);
void init_style();
virtual void init_style();
double init_one(int, int);
void write_restart(FILE *);
void read_restart(FILE *);
void write_restart_settings(FILE *);
void read_restart_settings(FILE *);
double single(int, int, int, int, double, double, double, double &);
virtual void write_restart_settings(FILE *);
virtual void read_restart_settings(FILE *);
virtual double single(int, int, int, int, double, double, double, double &);
private:
protected:
double cut_lj_global,cut_coul_global;
double **cut_lj,**cut_ljsq;
double **cut_coul,**cut_coulsq;