remove local copy of "me" (c355348f) · Commits · 郑智淋 / lammps

src/MISC/fix_ttm.cpp

+5 −5

Original line number	Diff line number	Diff line
		@@ -145,7 +145,7 @@ FixTTM::FixTTM(LAMMPS lmp, int narg, char *arg) :

		// set initial electron temperatures from user input file

		if (me == 0) read_initial_electron_temperatures(arg[13]);
		if (comm->me == 0) read_initial_electron_temperatures(arg[13]);
		MPI_Bcast(&T_electron[0][0][0],total_nnodes,MPI_DOUBLE,0,world);
		}

		@@ -153,7 +153,7 @@ FixTTM::FixTTM(LAMMPS lmp, int narg, char *arg) :

		FixTTM::~FixTTM()
		{
		if (nfileevery && me == 0) fclose(fp);
		if (fp) fclose(fp);

		delete random;

		@@ -360,7 +360,7 @@ void FixTTM::read_initial_electron_temperatures(const char *filename)
		error->one(FLERR,"Fix ttm electron temperatures must be > 0.0");

		T_electron[ixnode][iynode][iznode] = T_tmp;
		T_initial_set[ixnode][iynode][iznode] = 1;
		T_initial_set[ixnode][iynode][iznode] = 1.0;
		}

		// check completeness of input data
		@@ -526,7 +526,7 @@ void FixTTM::end_of_step()
		MPI_Allreduce(&sum_mass_vsq[0][0][0],&sum_mass_vsq_all[0][0][0],
		total_nnodes,MPI_DOUBLE,MPI_SUM,world);

		if (me == 0) {
		if (comm->me == 0) {
		fmt::print(fp,"{}",update->ntimestep);

		double T_a;

src/MISC/fix_ttm.h

+0 −1

Original line number	Diff line number	Diff line
		@@ -48,7 +48,6 @@ class FixTTM : public Fix {
		double compute_vector(int);

		private:
		int me;
		int nfileevery;
		int nlevels_respa;
		int seed;

src/USER-MISC/fix_ttm_mod.cpp

+5 −6

Original line number	Diff line number	Diff line
		@@ -66,7 +66,7 @@ static const char cite_fix_ttm_mod[] =
		/* ---------------------------------------------------------------------- */

		FixTTMMod::FixTTMMod(LAMMPS lmp, int narg, char *arg) :
		Fix(lmp, narg, arg)
		Fix(lmp, narg, arg), fp(NULL)
		{
		if (lmp->citeme) lmp->citeme->add(cite_fix_ttm_mod);

		@@ -96,8 +96,7 @@ FixTTMMod::FixTTMMod(LAMMPS lmp, int narg, char *arg) :
		nfileevery = force->inumeric(FLERR,arg[9]);
		if (nfileevery > 0) {
		if (narg != 11) error->all(FLERR,"Illegal fix ttm/mod command");
		MPI_Comm_rank(world,&me);
		if (me == 0) {
		if (comm->me == 0) {
		fp = fopen(arg[10],"w");
		if (fp == NULL) {
		char str[128];
		@@ -159,7 +158,7 @@ FixTTMMod::FixTTMMod(LAMMPS lmp, int narg, char *arg) :
		atom->add_callback(0);
		atom->add_callback(1);
		// set initial electron temperatures from user input file
		if (me == 0) read_initial_electron_temperatures(arg[13]);
		if (comm->me == 0) read_initial_electron_temperatures(arg[13]);
		MPI_Bcast(&T_electron[0][0][0],total_nnodes,MPI_DOUBLE,0,world);
		}

		@@ -167,7 +166,7 @@ FixTTMMod::FixTTMMod(LAMMPS lmp, int narg, char *arg) :

		FixTTMMod::~FixTTMMod()
		{
		if (nfileevery && me == 0) fclose(fp);
		if (fp) fclose(fp);
		delete random;
		delete [] gfactor1;
		delete [] gfactor2;
		@@ -806,7 +805,7 @@ void FixTTMMod::end_of_step()
		total_nnodes,MPI_DOUBLE,MPI_SUM,world);
		MPI_Allreduce(&t_surface_l,&surface_l,
		1,MPI_INT,MPI_MIN,world);
		if (me == 0) {
		if (comm->me == 0) {
		fmt::print(fp,"{}",update->ntimestep);
		double T_a;
		for (int ixnode = 0; ixnode < nxnodes; ixnode++)

src/USER-MISC/fix_ttm_mod.h

+0 −1

Original line number	Diff line number	Diff line
		@@ -53,7 +53,6 @@ class FixTTMMod : public Fix {
		double compute_vector(int);

		private:
		int me;
		int nfileevery;
		int nlevels_respa;
		int seed;

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