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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10628 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2013-08-21 17:34:16 +00:00
parent 1a6312c5d8
commit 5ad6f286a8
6 changed files with 12 additions and 10 deletions
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7
src/RIGID/fix_rigid.cpp
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@ -2171,11 +2171,12 @@ void FixRigid::readfile(int which, double *vec, double **array, int *inbody)
only proc 0 writes list of global bodies to file only proc 0 writes list of global bodies to file
------------------------------------------------------------------------- */ ------------------------------------------------------------------------- */
void FixRigid::write_restart_file() void FixRigid::write_restart_file(char *file)
{ {
if (me) return; if (me) return;
const char *outfile = "tmp.restart.inertia"; char outfile[128];
sprintf(outfile,"%s.rigid",file);
FILE *fp = fopen(outfile,"w"); FILE *fp = fopen(outfile,"w");
if (fp == NULL) { if (fp == NULL) {
char str[128]; char str[128];
@ -2184,7 +2185,7 @@ void FixRigid::write_restart_file()
} }
fprintf(fp,"fix rigid mass, COM, inertia tensor info for " fprintf(fp,"fix rigid mass, COM, inertia tensor info for "
"%d bodies on timestep " TAGINT_FORMAT "\n\n", "%d bodies on timestep " BIGINT_FORMAT "\n\n",
nbody,update->ntimestep); nbody,update->ntimestep);
fprintf(fp,"%d\n",nbody); fprintf(fp,"%d\n",nbody);

2
src/RIGID/fix_rigid.h
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@ -36,7 +36,7 @@ class FixRigid : public Fix {
virtual void final_integrate(); virtual void final_integrate();
void initial_integrate_respa(int, int, int); void initial_integrate_respa(int, int, int);
void final_integrate_respa(int, int); void final_integrate_respa(int, int);
void write_restart_file(); void write_restart_file(char *);
virtual double compute_scalar(); virtual double compute_scalar();
virtual int modify_param(int, char **) {return 0;} virtual int modify_param(int, char **) {return 0;}

7
src/RIGID/fix_rigid_small.cpp
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@ -2172,7 +2172,7 @@ void FixRigidSmall::readfile(int which, double **array, int *inbody)
each proc contributes info for rigid bodies it owns each proc contributes info for rigid bodies it owns
------------------------------------------------------------------------- */ ------------------------------------------------------------------------- */
void FixRigidSmall::write_restart_file() void FixRigidSmall::write_restart_file(char *file)
{ {
FILE *fp; FILE *fp;
@ -2183,7 +2183,8 @@ void FixRigidSmall::write_restart_file()
// proc 0 opens file and writes header // proc 0 opens file and writes header
if (me == 0) { if (me == 0) {
const char *outfile = "tmp.restart.inertia"; char outfile[128];
sprintf(outfile,"%s.rigid",file);
fp = fopen(outfile,"w"); fp = fopen(outfile,"w");
if (fp == NULL) { if (fp == NULL) {
char str[128]; char str[128];
@ -2192,7 +2193,7 @@ void FixRigidSmall::write_restart_file()
} }
fprintf(fp,"fix rigid mass, COM, inertia tensor info for " fprintf(fp,"fix rigid mass, COM, inertia tensor info for "
"%d bodies on timestep " TAGINT_FORMAT "\n\n", "%d bodies on timestep " BIGINT_FORMAT "\n\n",
nbody,update->ntimestep); nbody,update->ntimestep);
fprintf(fp,"%d\n",nbody); fprintf(fp,"%d\n",nbody);
} }

2
src/RIGID/fix_rigid_small.h
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@ -43,7 +43,7 @@ class FixRigidSmall : public Fix {
virtual void final_integrate(); virtual void final_integrate();
void initial_integrate_respa(int, int, int); void initial_integrate_respa(int, int, int);
void final_integrate_respa(int, int); void final_integrate_respa(int, int);
void write_restart_file(); void write_restart_file(char *);
void grow_arrays(int); void grow_arrays(int);
void copy_arrays(int, int, int); void copy_arrays(int, int, int);

2
src/fix.h
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@ -109,7 +109,7 @@ class Fix : protected Pointers {
virtual void end_of_step() {} virtual void end_of_step() {}
virtual void post_run() {} virtual void post_run() {}
virtual void write_restart(FILE *) {} virtual void write_restart(FILE *) {}
virtual void write_restart_file() {} virtual void write_restart_file(char *) {}
virtual void restart(char *) {} virtual void restart(char *) {}
virtual void grow_arrays(int) {} virtual void grow_arrays(int) {}

2
src/write_restart.cpp
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@ -298,7 +298,7 @@ void WriteRestart::write(char *file)
for (int ifix = 0; ifix < modify->nfix; ifix++) for (int ifix = 0; ifix < modify->nfix; ifix++)
if (modify->fix[ifix]->restart_file) if (modify->fix[ifix]->restart_file)
modify->fix[ifix]->write_restart_file(); modify->fix[ifix]->write_restart_file(file);
} }
/* ---------------------------------------------------------------------- /* ----------------------------------------------------------------------