(d72fcf5a) · Commits · 郑智淋 / lammps

src/CLASS2/pair_lj_class2.cpp

+14 −12

Original line number	Diff line number	Diff line
		@@ -37,6 +37,7 @@ PairLJClass2::PairLJClass2(LAMMPS *lmp) : Pair(lmp)

		PairLJClass2::~PairLJClass2()
		{
		if (!copymode) {
		if (allocated) {
		memory->destroy(setflag);
		memory->destroy(cutsq);
		@@ -51,6 +52,7 @@ PairLJClass2::~PairLJClass2()
		memory->destroy(offset);
		}
		}
		}

		/* ---------------------------------------------------------------------- */

+3 −3

Original line number	Diff line number	Diff line
		@@ -29,9 +29,9 @@ class PairLJClass2 : public Pair {
		PairLJClass2(class LAMMPS *);
		virtual ~PairLJClass2();
		virtual void compute(int, int);
		void settings(int, char **);
		virtual void settings(int, char **);
		void coeff(int, char **);
		double init_one(int, int);
		virtual double init_one(int, int);
		void write_restart(FILE *);
		void read_restart(FILE *);
		void write_restart_settings(FILE *);
		@@ -46,7 +46,7 @@ class PairLJClass2 : public Pair {
		double epsilon,sigma;
		double lj1,lj2,lj3,lj4,**offset;

		void allocate();
		virtual void allocate();
		};

		}

+17 −15

Original line number	Diff line number	Diff line
		@@ -38,6 +38,7 @@ PairLJClass2CoulCut::PairLJClass2CoulCut(LAMMPS *lmp) : Pair(lmp)

		PairLJClass2CoulCut::~PairLJClass2CoulCut()
		{
		if (!copymode) {
		if (allocated) {
		memory->destroy(setflag);
		memory->destroy(cutsq);
		@@ -55,6 +56,7 @@ PairLJClass2CoulCut::~PairLJClass2CoulCut()
		memory->destroy(offset);
		}
		}
		}

		/* ---------------------------------------------------------------------- */

+4 −4

Original line number	Diff line number	Diff line
		@@ -29,10 +29,10 @@ class PairLJClass2CoulCut : public Pair {
		PairLJClass2CoulCut(class LAMMPS *);
		virtual ~PairLJClass2CoulCut();
		virtual void compute(int, int);
		void settings(int, char **);
		virtual void settings(int, char **);
		void coeff(int, char **);
		void init_style();
		double init_one(int, int);
		virtual void init_style();
		virtual double init_one(int, int);
		void write_restart(FILE *);
		void read_restart(FILE *);
		void write_restart_settings(FILE *);
		@@ -48,7 +48,7 @@ class PairLJClass2CoulCut : public Pair {
		double epsilon,sigma;
		double lj1,lj2,lj3,lj4,**offset;

		void allocate();
		virtual void allocate();
		};

		}

+15 −13

Original line number	Diff line number	Diff line
		@@ -50,6 +50,7 @@ PairLJClass2CoulLong::PairLJClass2CoulLong(LAMMPS *lmp) : Pair(lmp)

		PairLJClass2CoulLong::~PairLJClass2CoulLong()
		{
		if (!copymode) {
		if (allocated) {
		memory->destroy(setflag);
		memory->destroy(cutsq);
		@@ -65,6 +66,7 @@ PairLJClass2CoulLong::~PairLJClass2CoulLong()
		memory->destroy(offset);
		}
		}
		}

		/* ---------------------------------------------------------------------- */