(aef3f322) · Commits · 郑智淋 / lammps

src/ASPHERE/atom_vec_ellipsoid.cpp

+2 −2

Original line number	Diff line number	Diff line
		@@ -583,9 +583,9 @@ int AtomVecEllipsoid::data_vel_hybrid(int m, char **values)
		return # of bytes of allocated memory
		------------------------------------------------------------------------- */

		int AtomVecEllipsoid::memory_usage()
		double AtomVecEllipsoid::memory_usage()
		{
		int bytes = 0;
		double bytes = 0.0;

		if (atom->memcheck("tag")) bytes += nmax * sizeof(int);
		if (atom->memcheck("type")) bytes += nmax * sizeof(int);

+1 −1

Original line number	Diff line number	Diff line
		@@ -40,7 +40,7 @@ class AtomVecEllipsoid : public AtomVec {
		int data_atom_hybrid(int, char **);
		void data_vel(int, char **);
		int data_vel_hybrid(int, char **);
		int memory_usage();
		double memory_usage();

		private:
		int tag,type,mask,image;

+4 −7

Original line number	Diff line number	Diff line
		@@ -281,11 +281,7 @@ void PairLJClass2CoulLong::init_style()

		if (force->kspace == NULL)
		error->all("Pair style is incompatible with KSpace style");
		else if (strcmp(force->kspace_style,"ewald") == 0)
		g_ewald = force->kspace->g_ewald;
		else if (strcmp(force->kspace_style,"pppm") == 0)
		g_ewald = force->kspace->g_ewald;
		else error->all("Pair style is incompatible with KSpace style");
		}

		/* ----------------------------------------------------------------------
		@@ -477,7 +473,8 @@ void PairLJClass2CoulLong::single(int i, int j, int itype, int jtype,

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

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

+1 −2

Original line number	Diff line number	Diff line
		@@ -32,8 +32,7 @@ class PairLJClass2CoulLong : public Pair {
		void write_restart_settings(FILE *);
		void read_restart_settings(FILE *);
		void single(int, int, int, int, double, double, double, int, One &);

		void extract_long(double *);
		void extract(char );

		private:
		double cut_lj_global;

+2 −2

Original line number	Diff line number	Diff line
		@@ -638,9 +638,9 @@ int AtomVecDipole::data_vel_hybrid(int m, char **values)
		return # of bytes of allocated memory
		------------------------------------------------------------------------- */

		int AtomVecDipole::memory_usage()
		double AtomVecDipole::memory_usage()
		{
		int bytes = 0;
		double bytes = 0.0;

		if (atom->memcheck("tag")) bytes += nmax * sizeof(int);
		if (atom->memcheck("type")) bytes += nmax * sizeof(int);