Fixed a few problems with read_dump xyz (65e281d6) · Commits · 郑智淋 / lammps

src/read_dump.cpp

+5 −2

Original line number	Diff line number	Diff line
		@@ -507,7 +507,10 @@ void ReadDump::header(int fieldinfo)
		yhi = box[1][1];
		zlo = box[2][0];
		zhi = box[2][1];
		if (triclinic_snap) {

		// value of 1 indicates possible change in tilt factors

		if (triclinic_snap == 1) {
		xy = box[0][2];
		xz = box[1][2];
		yz = box[2][2];
		@@ -546,7 +549,7 @@ void ReadDump::header(int fieldinfo)
		error->one(FLERR,"Read_dump triclinic status does not match simulation");
		}

		// error check on requested fields exisiting in dump file
		// error check on requested fields existing in dump file

		if (fieldflag < 0)
		error->one(FLERR,"Read_dump field not found in dump file");

+10 −0

Original line number	Diff line number	Diff line
		@@ -75,3 +75,13 @@ void Reader::close_file()
		else fclose(fp);
		fp = NULL;
		}

		/* ----------------------------------------------------------------------
		detect unused arguments
		------------------------------------------------------------------------- */

		void Reader::settings(int narg, char** /args/)
		{
		if (narg > 0)
		error->all(FLERR,"Illegal read_dump command");
		}

+1 −1

Original line number	Diff line number	Diff line
		@@ -25,7 +25,7 @@ class Reader : protected Pointers {
		Reader(class LAMMPS *);
		virtual ~Reader() {}

		virtual void settings(int, char**) {};
		virtual void settings(int, char**);

		virtual int read_time(bigint &) = 0;
		virtual void skip() = 0;