forked from lijiext/lammps
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3026 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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@ -261,7 +261,7 @@ void PairBuckCoulCut::coeff(int narg, char **arg)
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void PairBuckCoulCut::init_style()
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{
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if (!atom->q_flag)
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error->all("Pair style buck/coul/cut requires atom attribute q");
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error->all("Pair style buck/coul requires atom attribute q");
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int irequest = neighbor->request(this);
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}
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@ -21,19 +21,19 @@ namespace LAMMPS_NS {
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class PairBuckCoulCut : public Pair {
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public:
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PairBuckCoulCut(class LAMMPS *);
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~PairBuckCoulCut();
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void compute(int, int);
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void settings(int, char **);
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virtual ~PairBuckCoulCut();
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virtual void compute(int, int);
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virtual void settings(int, char **);
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void coeff(int, char **);
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void init_style();
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virtual void init_style();
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double init_one(int, int);
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void write_restart(FILE *);
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void read_restart(FILE *);
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void write_restart_settings(FILE *);
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void read_restart_settings(FILE *);
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double single(int, int, int, int, double, double, double, double &);
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virtual void write_restart_settings(FILE *);
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virtual void read_restart_settings(FILE *);
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virtual double single(int, int, int, int, double, double, double, double &);
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private:
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protected:
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double cut_lj_global,cut_coul_global;
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double **cut_lj,**cut_ljsq;
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double **cut_coul,**cut_coulsq;
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