(738f9cb7) · Commits · 郑智淋 / lammps

src/CLASS2/pair_lj_class2_coul_long.cpp

+2 −1

Original line number	Diff line number	Diff line
		@@ -467,8 +467,9 @@ double PairLJClass2CoulLong::single(int i, int j, int itype, int jtype,

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

		void PairLJClass2CoulLong::extract(char str)
		void PairLJClass2CoulLong::extract(char str, int &dim)
		{
		dim = 0;
		if (strcmp(str,"cut_coul") == 0) return (void *) &cut_coul;
		return NULL;
		}

+1 −1

Original line number	Diff line number	Diff line
		@@ -38,7 +38,7 @@ class PairLJClass2CoulLong : public Pair {
		void write_restart_settings(FILE *);
		void read_restart_settings(FILE *);
		double single(int, int, int, int, double, double, double, double &);
		void extract(char );
		void extract(char , int &);

		private:
		double cut_lj_global;

+5 −20

Original line number	Diff line number	Diff line
		@@ -534,26 +534,11 @@ void PairLubricate::read_restart_settings(FILE *fp)
		random = new RanMars(lmp,seed + comm->me);
		}

		/* ----------------------------------------------------------------------
		check if name is recognized, return integer index for that name
		if name not recognized, return -1
		if type pair setting, return -2 if no type pairs are set
		------------------------------------------------------------------------- */

		int PairLubricate::pre_adapt(char *name, int ilo, int ihi, int jlo, int jhi)
		{
		if (strcmp(name,"mu") == 0) return 0;
		return -1;
		}

		/* ----------------------------------------------------------------------
		adapt parameter indexed by which
		change all pair variables affected by the reset parameter
		if type pair setting, set I-J and J-I coeffs
		------------------------------------------------------------------------- */
		/* ---------------------------------------------------------------------- */

		void PairLubricate::adapt(int which, int ilo, int ihi, int jlo, int jhi,
		double value)
		void PairLubricate::extract(char str, int &dim)
		{
		mu = value;
		dim = 0;
		if (strcmp(str,"mu") == 0) return (void *) μ
		return NULL;
		}

+1 −2

Original line number	Diff line number	Diff line
		@@ -37,8 +37,7 @@ class PairLubricate : public Pair {
		void read_restart(FILE *);
		void write_restart_settings(FILE *);
		void read_restart_settings(FILE *);
		int pre_adapt(char *, int, int, int, int);
		void adapt(int, int, int, int, int, double);
		void extract(char , int &);

		protected:
		double cut_inner_global,cut_global;

+2 −3

Original line number	Diff line number	Diff line
		@@ -446,10 +446,9 @@ double PairCGCMMCoulLong::single(int i, int j, int itype, int jtype, double rsq,

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

		void PairCGCMMCoulLong::extract(char str)
		void PairCGCMMCoulLong::extract(char str, int &dim)
		{
		dim = 0;
		if (strcmp(str,"cut_coul") == 0) return (void *) &cut_coul_global;
		return NULL;
		}

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