move enum{INT,DOUBLE,STRING,BIGINT}; to Dump class in dump.h (12242963) · Commits · 郑智淋 / lammps

src/MPIIO/dump_cfg_mpiio.cpp

+8 −10

Original line number	Diff line number	Diff line
		@@ -47,8 +47,6 @@ using namespace LAMMPS_NS;
		#define DUMP_BUF_CHUNK_SIZE 16384
		#define DUMP_BUF_INCREMENT_SIZE 4096

		enum{INT,DOUBLE,STRING,BIGINT}; // same as in DumpCustom

		#define UNWRAPEXPAND 10.0
		#define ONEFIELD 32
		#define DELTA 1048576
		@@ -377,13 +375,13 @@ int DumpCFGMPIIO::convert_string_omp(int n, double *mybuf)
		} else if (j == 1) {
		mpifhStringCountPerThread[tid] += sprintf(&(mpifh_buffer_line_per_thread[tid][mpifhStringCountPerThread[tid]]),"%s \n",typenames[(int) mybuf[bufOffset[tid]+m]]);
		} else if (j >= 2) {
		if (vtype[j] == INT)
		if (vtype[j] == Dump::INT)
		mpifhStringCountPerThread[tid] += sprintf(&(mpifh_buffer_line_per_thread[tid][mpifhStringCountPerThread[tid]]),vformat[j],static_cast<int> (mybuf[bufOffset[tid]+m]));
		else if (vtype[j] == DOUBLE)
		else if (vtype[j] == Dump::DOUBLE)
		mpifhStringCountPerThread[tid] += sprintf(&(mpifh_buffer_line_per_thread[tid][mpifhStringCountPerThread[tid]]),vformat[j],mybuf[bufOffset[tid]+m]);
		else if (vtype[j] == STRING)
		else if (vtype[j] == Dump::STRING)
		mpifhStringCountPerThread[tid] += sprintf(&(mpifh_buffer_line_per_thread[tid][mpifhStringCountPerThread[tid]]),vformat[j],typenames[(int) mybuf[bufOffset[tid]+m]]);
		else if (vtype[j] == BIGINT)
		else if (vtype[j] == Dump::BIGINT)
		mpifhStringCountPerThread[tid] += sprintf(&(mpifh_buffer_line_per_thread[tid][mpifhStringCountPerThread[tid]]),vformat[j],static_cast<bigint> (mybuf[bufOffset[tid]+m]));
		}
		m++;
		@@ -410,18 +408,18 @@ int DumpCFGMPIIO::convert_string_omp(int n, double *mybuf)
		//offset += sprintf(&sbuf[offset],vformat[j],unwrap_coord);
		mpifhStringCountPerThread[tid] += sprintf(&(mpifh_buffer_line_per_thread[tid][mpifhStringCountPerThread[tid]]),vformat[j],unwrap_coord);
		} else if (j >= 5 ) {
		if (vtype[j] == INT)
		if (vtype[j] == Dump::INT)
		//offset +=
		// sprintf(&sbuf[offset],vformat[j],static_cast<int> (mybuf[m]));
		mpifhStringCountPerThread[tid] += sprintf(&(mpifh_buffer_line_per_thread[tid][mpifhStringCountPerThread[tid]]),vformat[j],static_cast<int> (mybuf[bufOffset[tid]+m]));
		else if (vtype[j] == DOUBLE)
		else if (vtype[j] == Dump::DOUBLE)
		// offset += sprintf(&sbuf[offset],vformat[j],mybuf[m]);
		mpifhStringCountPerThread[tid] += sprintf(&(mpifh_buffer_line_per_thread[tid][mpifhStringCountPerThread[tid]]),vformat[j],mybuf[bufOffset[tid]+m]);
		else if (vtype[j] == STRING)
		else if (vtype[j] == Dump::STRING)
		// offset +=
		// sprintf(&sbuf[offset],vformat[j],typenames[(int) mybuf[m]]);
		mpifhStringCountPerThread[tid] += sprintf(&(mpifh_buffer_line_per_thread[tid][mpifhStringCountPerThread[tid]]),vformat[j],typenames[(int) mybuf[bufOffset[tid]+m]]);
		else if (vtype[j] == BIGINT)
		else if (vtype[j] == Dump::BIGINT)
		// offset +=
		// sprintf(&sbuf[offset],vformat[j],static_cast<bigint> (mybuf[m]));
		mpifhStringCountPerThread[tid] += sprintf(&(mpifh_buffer_line_per_thread[tid][mpifhStringCountPerThread[tid]]),vformat[j],static_cast<bigint> (mybuf[bufOffset[tid]+m]));

src/MPIIO/dump_custom_mpiio.cpp

+6 −7

Original line number	Diff line number	Diff line
		@@ -53,7 +53,6 @@ enum{ID,MOL,TYPE,ELEMENT,MASS,
		TQX,TQY,TQZ,SPIN,ERADIUS,ERVEL,ERFORCE,
		COMPUTE,FIX,VARIABLE};
		enum{LT,LE,GT,GE,EQ,NEQ};
		enum{INT,DOUBLE,STRING,BIGINT}; // same as in DumpCustom

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

		@@ -246,13 +245,13 @@ void DumpCustomMPIIO::init_style()
		if (format_column_user[i]) {
		vformat[i] = new char[strlen(format_column_user[i]) + 2];
		strcpy(vformat[i],format_column_user[i]);
		} else if (vtype[i] == INT && format_int_user) {
		} else if (vtype[i] == Dump::INT && format_int_user) {
		vformat[i] = new char[strlen(format_int_user) + 2];
		strcpy(vformat[i],format_int_user);
		} else if (vtype[i] == DOUBLE && format_float_user) {
		} else if (vtype[i] == Dump::DOUBLE && format_float_user) {
		vformat[i] = new char[strlen(format_float_user) + 2];
		strcpy(vformat[i],format_float_user);
		} else if (vtype[i] == BIGINT && format_bigint_user) {
		} else if (vtype[i] == Dump::BIGINT && format_bigint_user) {
		vformat[i] = new char[strlen(format_bigint_user) + 2];
		strcpy(vformat[i],format_bigint_user);
		} else {
		@@ -618,11 +617,11 @@ int DumpCustomMPIIO::convert_string_omp(int n, double *mybuf)
		}
		for (int j = 0; j < size_one; j++) {

		if (vtype[j] == INT)
		if (vtype[j] == Dump::INT)
		mpifhStringCountPerThread[tid] += sprintf(&(mpifh_buffer_line_per_thread[tid][mpifhStringCountPerThread[tid]]),vformat[j],static_cast<int> (mybuf[bufOffset[tid]+m]));
		else if (vtype[j] == DOUBLE)
		else if (vtype[j] == Dump::DOUBLE)
		mpifhStringCountPerThread[tid] += sprintf(&(mpifh_buffer_line_per_thread[tid][mpifhStringCountPerThread[tid]]),vformat[j],mybuf[bufOffset[tid]+m]);
		else if (vtype[j] == STRING)
		else if (vtype[j] == Dump::STRING)
		mpifhStringCountPerThread[tid] += sprintf(&(mpifh_buffer_line_per_thread[tid][mpifhStringCountPerThread[tid]]),vformat[j],typenames[(int) mybuf[bufOffset[tid]+m]]);
		m ++;
		}

src/MPIIO/dump_xyz_mpiio.cpp

+0 −1

Original line number	Diff line number	Diff line
		@@ -53,7 +53,6 @@ enum{ID,MOL,TYPE,ELEMENT,MASS,
		TQX,TQY,TQZ,SPIN,ERADIUS,ERVEL,ERFORCE,
		COMPUTE,FIX,VARIABLE};
		enum{LT,LE,GT,GE,EQ,NEQ};
		enum{INT,DOUBLE,STRING}; // same as in DumpCFG

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

src/USER-UEF/dump_cfg_uef.cpp

+0 −2

Original line number	Diff line number	Diff line
		@@ -30,8 +30,6 @@

		using namespace LAMMPS_NS;

		enum{INT,DOUBLE,STRING,BIGINT}; // same as in DumpCustom

		#define UNWRAPEXPAND 10.0
		#define ONEFIELD 32
		#define DELTA 1048576

src/USER-VTK/dump_vtk.cpp

+57 −58

Original line number	Diff line number	Diff line
		@@ -87,7 +87,6 @@ enum{X,Y,Z, // required for vtk, must come first
		VARIABLE,COMPUTE,FIX,INAME,DNAME,
		ATTRIBUTES}; // must come last
		enum{LT,LE,GT,GE,EQ,NEQ};
		enum{INT,DOUBLE,STRING,BIGINT}; // same as in DumpCFG
		enum{VTK,VTP,VTU,PVTP,PVTU}; // file formats

		#define INVOKED_PERATOM 8
		@@ -1091,7 +1090,7 @@ void DumpVTK::buf2arrays(int n, double *mybuf)
		vtkAbstractArray *paa = it->second;
		if (it->second->GetNumberOfComponents() == 3) {
		switch (vtype[it->first]) {
		case INT:
		case Dump::INT:
		{
		int iv3[3] = { static_cast<int>(mybuf[iatom*size_one+j ]),
		static_cast<int>(mybuf[iatom*size_one+j+1]),
		@@ -1100,7 +1099,7 @@ void DumpVTK::buf2arrays(int n, double *mybuf)
		pia->InsertNextTupleValue(iv3);
		break;
		}
		case DOUBLE:
		case Dump::DOUBLE:
		{
		vtkDoubleArray pda = static_cast<vtkDoubleArray>(paa);
		pda->InsertNextTupleValue(&mybuf[iatom*size_one+j]);
		@@ -1110,19 +1109,19 @@ void DumpVTK::buf2arrays(int n, double *mybuf)
		j+=3;
		} else {
		switch (vtype[it->first]) {
		case INT:
		case Dump::INT:
		{
		vtkIntArray pia = static_cast<vtkIntArray>(paa);
		pia->InsertNextValue(mybuf[iatom*size_one+j]);
		break;
		}
		case DOUBLE:
		case Dump::DOUBLE:
		{
		vtkDoubleArray pda = static_cast<vtkDoubleArray>(paa);
		pda->InsertNextValue(mybuf[iatom*size_one+j]);
		break;
		}
		case STRING:
		case Dump::STRING:
		{
		vtkStringArray psa = static_cast<vtkStringArray>(paa);
		psa->InsertNextValue(typenames[static_cast<int>(mybuf[iatom*size_one+j])]);
		@@ -1482,13 +1481,13 @@ void DumpVTK::reset_vtk_data_containers()
		++it; ++it; ++it;
		for (; it!=vtype.end(); ++it) {
		switch(vtype[it->first]) {
		case INT:
		case Dump::INT:
		myarrays[it->first] = vtkSmartPointer<vtkIntArray>::New();
		break;
		case DOUBLE:
		case Dump::DOUBLE:
		myarrays[it->first] = vtkSmartPointer<vtkDoubleArray>::New();
		break;
		case STRING:
		case Dump::STRING:
		myarrays[it->first] = vtkSmartPointer<vtkStringArray>::New();
		break;
		}
		@@ -1509,13 +1508,13 @@ int DumpVTK::parse_fields(int narg, char **arg)
		{

		pack_choice[X] = &DumpVTK::pack_x;
		vtype[X] = DOUBLE;
		vtype[X] = Dump::DOUBLE;
		name[X] = "x";
		pack_choice[Y] = &DumpVTK::pack_y;
		vtype[Y] = DOUBLE;
		vtype[Y] = Dump::DOUBLE;
		name[Y] = "y";
		pack_choice[Z] = &DumpVTK::pack_z;
		vtype[Z] = DOUBLE;
		vtype[Z] = Dump::DOUBLE;
		name[Z] = "z";

		// customize by adding to if statement
		@@ -1525,33 +1524,33 @@ int DumpVTK::parse_fields(int narg, char **arg)

		if (strcmp(arg[iarg],"id") == 0) {
		pack_choice[ID] = &DumpVTK::pack_id;
		vtype[ID] = INT;
		vtype[ID] = Dump::INT;
		name[ID] = arg[iarg];
		} else if (strcmp(arg[iarg],"mol") == 0) {
		if (!atom->molecule_flag)
		error->all(FLERR,"Dumping an atom property that isn't allocated");
		pack_choice[MOL] = &DumpVTK::pack_molecule;
		vtype[MOL] = INT;
		vtype[MOL] = Dump::INT;
		name[MOL] = arg[iarg];
		} else if (strcmp(arg[iarg],"proc") == 0) {
		pack_choice[PROC] = &DumpVTK::pack_proc;
		vtype[PROC] = INT;
		vtype[PROC] = Dump::INT;
		name[PROC] = arg[iarg];
		} else if (strcmp(arg[iarg],"procp1") == 0) {
		pack_choice[PROCP1] = &DumpVTK::pack_procp1;
		vtype[PROCP1] = INT;
		vtype[PROCP1] = Dump::INT;
		name[PROCP1] = arg[iarg];
		} else if (strcmp(arg[iarg],"type") == 0) {
		pack_choice[TYPE] = &DumpVTK::pack_type;
		vtype[TYPE] = INT;
		vtype[TYPE] = Dump::INT;
		name[TYPE] =arg[iarg];
		} else if (strcmp(arg[iarg],"element") == 0) {
		pack_choice[ELEMENT] = &DumpVTK::pack_type;
		vtype[ELEMENT] = STRING;
		vtype[ELEMENT] = Dump::STRING;
		name[ELEMENT] = arg[iarg];
		} else if (strcmp(arg[iarg],"mass") == 0) {
		pack_choice[MASS] = &DumpVTK::pack_mass;
		vtype[MASS] = DOUBLE;
		vtype[MASS] = Dump::DOUBLE;
		name[MASS] = arg[iarg];

		} else if (strcmp(arg[iarg],"x") == 0) {
		@@ -1563,181 +1562,181 @@ int DumpVTK::parse_fields(int narg, char **arg)
		} else if (strcmp(arg[iarg],"xs") == 0) {
		if (domain->triclinic) pack_choice[XS] = &DumpVTK::pack_xs_triclinic;
		else pack_choice[XS] = &DumpVTK::pack_xs;
		vtype[XS] = DOUBLE;
		vtype[XS] = Dump::DOUBLE;
		name[XS] = arg[iarg];
		} else if (strcmp(arg[iarg],"ys") == 0) {
		if (domain->triclinic) pack_choice[YS] = &DumpVTK::pack_ys_triclinic;
		else pack_choice[YS] = &DumpVTK::pack_ys;
		vtype[YS] = DOUBLE;
		vtype[YS] = Dump::DOUBLE;
		name[YS] = arg[iarg];
		} else if (strcmp(arg[iarg],"zs") == 0) {
		if (domain->triclinic) pack_choice[ZS] = &DumpVTK::pack_zs_triclinic;
		else pack_choice[ZS] = &DumpVTK::pack_zs;
		vtype[ZS] = DOUBLE;
		vtype[ZS] = Dump::DOUBLE;
		name[ZS] = arg[iarg];
		} else if (strcmp(arg[iarg],"xu") == 0) {
		if (domain->triclinic) pack_choice[XU] = &DumpVTK::pack_xu_triclinic;
		else pack_choice[XU] = &DumpVTK::pack_xu;
		vtype[XU] = DOUBLE;
		vtype[XU] = Dump::DOUBLE;
		name[XU] = arg[iarg];
		} else if (strcmp(arg[iarg],"yu") == 0) {
		if (domain->triclinic) pack_choice[YU] = &DumpVTK::pack_yu_triclinic;
		else pack_choice[YU] = &DumpVTK::pack_yu;
		vtype[YU] = DOUBLE;
		vtype[YU] = Dump::DOUBLE;
		name[YU] = arg[iarg];
		} else if (strcmp(arg[iarg],"zu") == 0) {
		if (domain->triclinic) pack_choice[ZU] = &DumpVTK::pack_zu_triclinic;
		else pack_choice[ZU] = &DumpVTK::pack_zu;
		vtype[ZU] = DOUBLE;
		vtype[ZU] = Dump::DOUBLE;
		name[ZU] = arg[iarg];
		} else if (strcmp(arg[iarg],"xsu") == 0) {
		if (domain->triclinic) pack_choice[XSU] = &DumpVTK::pack_xsu_triclinic;
		else pack_choice[XSU] = &DumpVTK::pack_xsu;
		vtype[XSU] = DOUBLE;
		vtype[XSU] = Dump::DOUBLE;
		name[XSU] = arg[iarg];
		} else if (strcmp(arg[iarg],"ysu") == 0) {
		if (domain->triclinic) pack_choice[YSU] = &DumpVTK::pack_ysu_triclinic;
		else pack_choice[YSU] = &DumpVTK::pack_ysu;
		vtype[YSU] = DOUBLE;
		vtype[YSU] = Dump::DOUBLE;
		name[YSU] = arg[iarg];
		} else if (strcmp(arg[iarg],"zsu") == 0) {
		if (domain->triclinic) pack_choice[ZSU] = &DumpVTK::pack_zsu_triclinic;
		else pack_choice[ZSU] = &DumpVTK::pack_zsu;
		vtype[ZSU] = DOUBLE;
		vtype[ZSU] = Dump::DOUBLE;
		name[ZSU] = arg[iarg];
		} else if (strcmp(arg[iarg],"ix") == 0) {
		pack_choice[IX] = &DumpVTK::pack_ix;
		vtype[IX] = INT;
		vtype[IX] = Dump::INT;
		name[IX] = arg[iarg];
		} else if (strcmp(arg[iarg],"iy") == 0) {
		pack_choice[IY] = &DumpVTK::pack_iy;
		vtype[IY] = INT;
		vtype[IY] = Dump::INT;
		name[IY] = arg[iarg];
		} else if (strcmp(arg[iarg],"iz") == 0) {
		pack_choice[IZ] = &DumpVTK::pack_iz;
		vtype[IZ] = INT;
		vtype[IZ] = Dump::INT;
		name[IZ] = arg[iarg];

		} else if (strcmp(arg[iarg],"vx") == 0) {
		pack_choice[VX] = &DumpVTK::pack_vx;
		vtype[VX] = DOUBLE;
		vtype[VX] = Dump::DOUBLE;
		name[VX] = arg[iarg];
		} else if (strcmp(arg[iarg],"vy") == 0) {
		pack_choice[VY] = &DumpVTK::pack_vy;
		vtype[VY] = DOUBLE;
		vtype[VY] = Dump::DOUBLE;
		name[VY] = arg[iarg];
		} else if (strcmp(arg[iarg],"vz") == 0) {
		pack_choice[VZ] = &DumpVTK::pack_vz;
		vtype[VZ] = DOUBLE;
		vtype[VZ] = Dump::DOUBLE;
		name[VZ] = arg[iarg];
		} else if (strcmp(arg[iarg],"fx") == 0) {
		pack_choice[FX] = &DumpVTK::pack_fx;
		vtype[FX] = DOUBLE;
		vtype[FX] = Dump::DOUBLE;
		name[FX] = arg[iarg];
		} else if (strcmp(arg[iarg],"fy") == 0) {
		pack_choice[FY] = &DumpVTK::pack_fy;
		vtype[FY] = DOUBLE;
		vtype[FY] = Dump::DOUBLE;
		name[FY] = arg[iarg];
		} else if (strcmp(arg[iarg],"fz") == 0) {
		pack_choice[FZ] = &DumpVTK::pack_fz;
		vtype[FZ] = DOUBLE;
		vtype[FZ] = Dump::DOUBLE;
		name[FZ] = arg[iarg];
		} else if (strcmp(arg[iarg],"q") == 0) {
		if (!atom->q_flag)
		error->all(FLERR,"Dumping an atom property that isn't allocated");
		pack_choice[Q] = &DumpVTK::pack_q;
		vtype[Q] = DOUBLE;
		vtype[Q] = Dump::DOUBLE;
		name[Q] = arg[iarg];
		} else if (strcmp(arg[iarg],"mux") == 0) {
		if (!atom->mu_flag)
		error->all(FLERR,"Dumping an atom property that isn't allocated");
		pack_choice[MUX] = &DumpVTK::pack_mux;
		vtype[MUX] = DOUBLE;
		vtype[MUX] = Dump::DOUBLE;
		name[MUX] = arg[iarg];
		} else if (strcmp(arg[iarg],"muy") == 0) {
		if (!atom->mu_flag)
		error->all(FLERR,"Dumping an atom property that isn't allocated");
		pack_choice[MUY] = &DumpVTK::pack_muy;
		vtype[MUY] = DOUBLE;
		vtype[MUY] = Dump::DOUBLE;
		name[MUY] = arg[iarg];
		} else if (strcmp(arg[iarg],"muz") == 0) {
		if (!atom->mu_flag)
		error->all(FLERR,"Dumping an atom property that isn't allocated");
		pack_choice[MUZ] = &DumpVTK::pack_muz;
		vtype[MUZ] = DOUBLE;
		vtype[MUZ] = Dump::DOUBLE;
		name[MUZ] = arg[iarg];
		} else if (strcmp(arg[iarg],"mu") == 0) {
		if (!atom->mu_flag)
		error->all(FLERR,"Dumping an atom property that isn't allocated");
		pack_choice[MU] = &DumpVTK::pack_mu;
		vtype[MU] = DOUBLE;
		vtype[MU] = Dump::DOUBLE;
		name[MU] = arg[iarg];

		} else if (strcmp(arg[iarg],"radius") == 0) {
		if (!atom->radius_flag)
		error->all(FLERR,"Dumping an atom property that isn't allocated");
		pack_choice[RADIUS] = &DumpVTK::pack_radius;
		vtype[RADIUS] = DOUBLE;
		vtype[RADIUS] = Dump::DOUBLE;
		name[RADIUS] = arg[iarg];
		} else if (strcmp(arg[iarg],"diameter") == 0) {
		if (!atom->radius_flag)
		error->all(FLERR,"Dumping an atom property that isn't allocated");
		pack_choice[DIAMETER] = &DumpVTK::pack_diameter;
		vtype[DIAMETER] = DOUBLE;
		vtype[DIAMETER] = Dump::DOUBLE;
		name[DIAMETER] = arg[iarg];
		} else if (strcmp(arg[iarg],"omegax") == 0) {
		if (!atom->omega_flag)
		error->all(FLERR,"Dumping an atom property that isn't allocated");
		pack_choice[OMEGAX] = &DumpVTK::pack_omegax;
		vtype[OMEGAX] = DOUBLE;
		vtype[OMEGAX] = Dump::DOUBLE;
		name[OMEGAX] = arg[iarg];
		} else if (strcmp(arg[iarg],"omegay") == 0) {
		if (!atom->omega_flag)
		error->all(FLERR,"Dumping an atom property that isn't allocated");
		pack_choice[OMEGAY] = &DumpVTK::pack_omegay;
		vtype[OMEGAY] = DOUBLE;
		vtype[OMEGAY] = Dump::DOUBLE;
		name[OMEGAY] = arg[iarg];
		} else if (strcmp(arg[iarg],"omegaz") == 0) {
		if (!atom->omega_flag)
		error->all(FLERR,"Dumping an atom property that isn't allocated");
		pack_choice[OMEGAZ] = &DumpVTK::pack_omegaz;
		vtype[OMEGAZ] = DOUBLE;
		vtype[OMEGAZ] = Dump::DOUBLE;
		name[OMEGAZ] = arg[iarg];
		} else if (strcmp(arg[iarg],"angmomx") == 0) {
		if (!atom->angmom_flag)
		error->all(FLERR,"Dumping an atom property that isn't allocated");
		pack_choice[ANGMOMX] = &DumpVTK::pack_angmomx;
		vtype[ANGMOMX] = DOUBLE;
		vtype[ANGMOMX] = Dump::DOUBLE;
		name[ANGMOMX] = arg[iarg];
		} else if (strcmp(arg[iarg],"angmomy") == 0) {
		if (!atom->angmom_flag)
		error->all(FLERR,"Dumping an atom property that isn't allocated");
		pack_choice[ANGMOMY] = &DumpVTK::pack_angmomy;
		vtype[ANGMOMY] = DOUBLE;
		vtype[ANGMOMY] = Dump::DOUBLE;
		name[ANGMOMY] = arg[iarg];
		} else if (strcmp(arg[iarg],"angmomz") == 0) {
		if (!atom->angmom_flag)
		error->all(FLERR,"Dumping an atom property that isn't allocated");
		pack_choice[ANGMOMZ] = &DumpVTK::pack_angmomz;
		vtype[ANGMOMZ] = DOUBLE;
		vtype[ANGMOMZ] = Dump::DOUBLE;
		name[ANGMOMZ] = arg[iarg];
		} else if (strcmp(arg[iarg],"tqx") == 0) {
		if (!atom->torque_flag)
		error->all(FLERR,"Dumping an atom property that isn't allocated");
		pack_choice[TQX] = &DumpVTK::pack_tqx;
		vtype[TQX] = DOUBLE;
		vtype[TQX] = Dump::DOUBLE;
		name[TQX] = arg[iarg];
		} else if (strcmp(arg[iarg],"tqy") == 0) {
		if (!atom->torque_flag)
		error->all(FLERR,"Dumping an atom property that isn't allocated");
		pack_choice[TQY] = &DumpVTK::pack_tqy;
		vtype[TQY] = DOUBLE;
		vtype[TQY] = Dump::DOUBLE;
		name[TQY] = arg[iarg];
		} else if (strcmp(arg[iarg],"tqz") == 0) {
		if (!atom->torque_flag)
		error->all(FLERR,"Dumping an atom property that isn't allocated");
		pack_choice[TQZ] = &DumpVTK::pack_tqz;
		vtype[TQZ] = DOUBLE;
		vtype[TQZ] = Dump::DOUBLE;
		name[TQZ] = arg[iarg];

		// compute value = c_ID
		@@ -1745,7 +1744,7 @@ int DumpVTK::parse_fields(int narg, char **arg)

		} else if (strncmp(arg[iarg],"c_",2) == 0) {
		pack_choice[ATTRIBUTES+i] = &DumpVTK::pack_compute;
		vtype[ATTRIBUTES+i] = DOUBLE;
		vtype[ATTRIBUTES+i] = Dump::DOUBLE;

		int n = strlen(arg[iarg]);
		char *suffix = new char[n];
		@@ -1782,7 +1781,7 @@ int DumpVTK::parse_fields(int narg, char **arg)

		} else if (strncmp(arg[iarg],"f_",2) == 0) {
		pack_choice[ATTRIBUTES+i] = &DumpVTK::pack_fix;
		vtype[ATTRIBUTES+i] = DOUBLE;
		vtype[ATTRIBUTES+i] = Dump::DOUBLE;

		int n = strlen(arg[iarg]);
		char *suffix = new char[n];
		@@ -1816,7 +1815,7 @@ int DumpVTK::parse_fields(int narg, char **arg)

		} else if (strncmp(arg[iarg],"v_",2) == 0) {
		pack_choice[ATTRIBUTES+i] = &DumpVTK::pack_variable;
		vtype[ATTRIBUTES+i] = DOUBLE;
		vtype[ATTRIBUTES+i] = Dump::DOUBLE;

		int n = strlen(arg[iarg]);
		char *suffix = new char[n];
		@@ -1837,7 +1836,7 @@ int DumpVTK::parse_fields(int narg, char **arg)

		} else if (strncmp(arg[iarg],"d_",2) == 0) {
		pack_choice[ATTRIBUTES+i] = &DumpVTK::pack_custom;
		vtype[ATTRIBUTES+i] = DOUBLE;
		vtype[ATTRIBUTES+i] = Dump::DOUBLE;

		int n = strlen(arg[iarg]);
		char *suffix = new char[n];
		@@ -1860,7 +1859,7 @@ int DumpVTK::parse_fields(int narg, char **arg)

		} else if (strncmp(arg[iarg],"i_",2) == 0) {
		pack_choice[ATTRIBUTES+i] = &DumpVTK::pack_custom;
		vtype[ATTRIBUTES+i] = INT;
		vtype[ATTRIBUTES+i] = Dump::INT;

		int n = strlen(arg[iarg]);
		char *suffix = new char[n];

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