(3092a341) · Commits · 郑智淋 / lammps

src/dump.cpp

+14 −4

Original line number	Diff line number	Diff line
		@@ -106,10 +106,15 @@ Dump::~Dump()
		// XTC style sets fp to NULL since it closes file in its destructor

		if (multifile == 0 && fp != NULL) {
		if (compressed) {
		if (multiproc) pclose(fp);
		else if (me == 0) pclose(fp);
		} else {
		if (multiproc) fclose(fp);
		else if (me == 0) fclose(fp);
		}
		}
		}

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

		@@ -205,10 +210,15 @@ void Dump::write()
		// if file per timestep, close file

		if (multifile) {
		if (compressed) {
		if (multiproc) pclose(fp);
		else if (me == 0) pclose(fp);
		} else {
		if (multiproc) fclose(fp);
		else if (me == 0) fclose(fp);
		}
		}
		}

		/* ----------------------------------------------------------------------
		process params common to all dumps here

+6 −2

Original line number	Diff line number	Diff line
		@@ -500,7 +500,11 @@ void FixTMD::readfile(char *file)
		// clean up

		delete [] buffer;
		if (me == 0) fclose(fp);

		if (me == 0) {
		if (compressed) pclose(fp);
		else fclose(fp);
		}

		// check that all atoms in group were listed in target file
		// set xf = 0.0 for atoms not in group
		@@ -525,7 +529,7 @@ void FixTMD::readfile(char *file)

		void FixTMD::open(char *file)
		{
		int compressed = 0;
		compressed = 0;
		char *suffix = file + strlen(file) - 3;
		if (suffix > file && strcmp(suffix,".gz") == 0) compressed = 1;
		if (!compressed) fp = fopen(file,"r");

+1 −1

Original line number	Diff line number	Diff line
		@@ -37,7 +37,7 @@ class FixTMD : public Fix {

		private:
		int me;
		int nfileevery,previous_stat;
		int nfileevery,previous_stat,compressed;
		FILE *fp;
		double rho_start,rho_stop,rho_old,masstotal;
		double dtv,dtf;

+7 −3

Original line number	Diff line number	Diff line
		@@ -86,7 +86,8 @@ void ReadData::command(int narg, char **arg)
		header(0);
		scan(atom->bond_per_atom,atom->angle_per_atom,
		atom->dihedral_per_atom,atom->improper_per_atom);
		fclose(fp);
		if (compressed) pclose(fp);
		else fclose(fp);
		atom->bond_per_atom += atom->extra_bond_per_atom;
		}

		@@ -256,7 +257,10 @@ void ReadData::command(int narg, char **arg)

		// close file

		if (me == 0) fclose(fp);
		if (me == 0) {
		if (compressed) pclose(fp);
		else fclose(fp);
		}

		// error if natoms > 0 yet no atoms were read

		@@ -1219,7 +1223,7 @@ int ReadData::reallocate(int **pcount, int cmax, int amax)

		void ReadData::open(char *file)
		{
		int compressed = 0;
		compressed = 0;
		char *suffix = file + strlen(file) - 3;
		if (suffix > file && strcmp(suffix,".gz") == 0) compressed = 1;
		if (!compressed) fp = fopen(file,"r");

+1 −1

Original line number	Diff line number	Diff line
		@@ -29,7 +29,7 @@ class ReadData : protected Pointers {
		int me;
		char line,keyword,*buffer;
		FILE *fp;
		int narg,maxarg;
		int narg,maxarg,compressed;
		char **arg;

		void open(char *);