forked from lijiext/lammps
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2930 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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4d4f48bb74
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18
src/dump.cpp
18
src/dump.cpp
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@ -106,8 +106,13 @@ Dump::~Dump()
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// XTC style sets fp to NULL since it closes file in its destructor
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if (multifile == 0 && fp != NULL) {
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if (multiproc) fclose(fp);
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else if (me == 0) fclose(fp);
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if (compressed) {
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if (multiproc) pclose(fp);
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else if (me == 0) pclose(fp);
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} else {
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if (multiproc) fclose(fp);
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else if (me == 0) fclose(fp);
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}
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}
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}
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@ -205,8 +210,13 @@ void Dump::write()
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// if file per timestep, close file
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if (multifile) {
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if (multiproc) fclose(fp);
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else if (me == 0) fclose(fp);
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if (compressed) {
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if (multiproc) pclose(fp);
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else if (me == 0) pclose(fp);
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} else {
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if (multiproc) fclose(fp);
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else if (me == 0) fclose(fp);
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}
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}
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}
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@ -500,7 +500,11 @@ void FixTMD::readfile(char *file)
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// clean up
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delete [] buffer;
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if (me == 0) fclose(fp);
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if (me == 0) {
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if (compressed) pclose(fp);
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else fclose(fp);
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}
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// check that all atoms in group were listed in target file
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// set xf = 0.0 for atoms not in group
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@ -525,7 +529,7 @@ void FixTMD::readfile(char *file)
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void FixTMD::open(char *file)
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{
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int compressed = 0;
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compressed = 0;
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char *suffix = file + strlen(file) - 3;
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if (suffix > file && strcmp(suffix,".gz") == 0) compressed = 1;
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if (!compressed) fp = fopen(file,"r");
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@ -37,7 +37,7 @@ class FixTMD : public Fix {
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private:
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int me;
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int nfileevery,previous_stat;
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int nfileevery,previous_stat,compressed;
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FILE *fp;
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double rho_start,rho_stop,rho_old,masstotal;
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double dtv,dtf;
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@ -86,7 +86,8 @@ void ReadData::command(int narg, char **arg)
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header(0);
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scan(atom->bond_per_atom,atom->angle_per_atom,
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atom->dihedral_per_atom,atom->improper_per_atom);
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fclose(fp);
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if (compressed) pclose(fp);
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else fclose(fp);
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atom->bond_per_atom += atom->extra_bond_per_atom;
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}
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@ -256,7 +257,10 @@ void ReadData::command(int narg, char **arg)
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// close file
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if (me == 0) fclose(fp);
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if (me == 0) {
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if (compressed) pclose(fp);
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else fclose(fp);
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}
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// error if natoms > 0 yet no atoms were read
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@ -1219,7 +1223,7 @@ int ReadData::reallocate(int **pcount, int cmax, int amax)
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void ReadData::open(char *file)
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{
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int compressed = 0;
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compressed = 0;
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char *suffix = file + strlen(file) - 3;
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if (suffix > file && strcmp(suffix,".gz") == 0) compressed = 1;
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if (!compressed) fp = fopen(file,"r");
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@ -29,7 +29,7 @@ class ReadData : protected Pointers {
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int me;
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char *line,*keyword,*buffer;
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FILE *fp;
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int narg,maxarg;
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int narg,maxarg,compressed;
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char **arg;
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void open(char *);
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