correct handling of "at" keyword for netcdf dumps as suggested by @pastewka in PR #681 review (02646100) · Commits · 郑智淋 / lammps

src/USER-NETCDF/dump_netcdf.cpp

+7 −9

Original line number	Diff line number	Diff line
		@@ -330,8 +330,7 @@ void DumpNetCDF::openfile()
		// Type mangling
		if (vtype[perat[i].field[0]] == INT) {
		xtype = NC_INT;
		}
		else {
		} else {
		if (double_precision)
		xtype = NC_DOUBLE;
		else
		@@ -356,14 +355,12 @@ void DumpNetCDF::openfile()
		// framei == -1 means append to file, == -2 means override last frame
		// Note that in the input file this translates to 'yes', '-1', etc.

		if (!append_flag)
		if (framei <= 0) framei = nframes+framei+1;
		if (framei < 1) framei = 1;
		} else {
		if (framei != 0)
		error->all(FLERR,"at keyword requires use of 'append yes'");

		if (framei < 0 \|\| (append_flag && framei == 0))
		framei = nframes+framei+1;
		if (framei < 1) framei = 1;
		}
		else {
		int dims[NC_MAX_VAR_DIMS];
		size_t index[NC_MAX_VAR_DIMS], count[NC_MAX_VAR_DIMS];
		double d[1];
		@@ -933,7 +930,8 @@ int DumpNetCDF::modify_param(int narg, char **arg)
		if (iarg >= narg)
		error->all(FLERR,"expected additional arg after 'at' keyword.");
		framei = force->inumeric(FLERR,arg[iarg]);
		if (framei < 0) framei--;
		if (framei == 0) error->all(FLERR,"frame 0 not allowed for 'at' keyword.");
		else if (framei < 0) framei--;
		iarg++;
		return 2;
		}

+9 −6

Original line number	Diff line number	Diff line
		@@ -351,10 +351,12 @@ void DumpNetCDFMPIIO::openfile()
		NCERR( ncmpi_inq_dimlen(ncid, frame_dim, &nframes) );
		// framei == -1 means append to file, == -2 means override last frame
		// Note that in the input file this translates to 'yes', '-1', etc.
		if (framei < 0 \|\| (append_flag && framei == 0)) framei = nframes+framei+1;
		if (framei <= 0) framei = nframes+framei+1;
		if (framei < 1) framei = 1;
		}
		else {
		} else {
		if (framei != 0)
		error->all(FLERR,"at keyword requires use of 'append yes'");

		int dims[NC_MAX_VAR_DIMS];
		MPI_Offset index[NC_MAX_VAR_DIMS], count[NC_MAX_VAR_DIMS];
		double d[1];
		@@ -920,11 +922,12 @@ int DumpNetCDFMPIIO::modify_param(int narg, char **arg)
		return 2;
		}
		else if (strcmp(arg[iarg],"at") == 0) {
		if (!append_flag)
		error->all(FLERR,"expected 'append yes' before 'at' keyword");
		iarg++;
		if (iarg >= narg)
		error->all(FLERR,"expected additional arg after 'at' keyword.");
		framei = force->inumeric(FLERR,arg[iarg]);
		if (framei < 0) framei--;
		if (framei == 0) error->all(FLERR,"frame 0 not allowed for 'at' keyword.");
		else if (framei < 0) framei--;
		iarg++;
		return 2;
		}