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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11328 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2014-01-25 22:46:08 +00:00
parent 2f6a46a2be
commit 0ce16af78b
63 changed files with 2943 additions and 798 deletions
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24
src/write_restart.cpp
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@ -449,25 +449,15 @@ void WriteRestart::header()
write_int(ZPERIODIC,domain->zperiodic);
write_int_vec(BOUNDARY,6,&domain->boundary[0][0]);
// atom_style must be written before atom class values
// so read_restart can create class before reading class values
// if style = hybrid, also write sub-class styles
// avec->write_restart() writes atom_style specific info
// write atom_style and its args
write_string(ATOM_STYLE,atom->atom_style);
if (strcmp(atom->atom_style,"hybrid") == 0) {
AtomVecHybrid *avec_hybrid = (AtomVecHybrid *) atom->avec;
int nstyles = avec_hybrid->nstyles;
char **keywords = avec_hybrid->keywords;
fwrite(&nstyles,sizeof(int),1,fp);
for (int i = 0; i < nstyles; i++) {
int n = strlen(keywords[i]) + 1;
fwrite(&n,sizeof(int),1,fp);
fwrite(keywords[i],sizeof(char),n,fp);
}
fwrite(&atom->avec->nargcopy,sizeof(int),1,fp);
for (int i = 0; i < atom->avec->nargcopy; i++) {
int n = strlen(atom->avec->argcopy[i]) + 1;
fwrite(&n,sizeof(int),1,fp);
fwrite(atom->avec->argcopy[i],sizeof(char),n,fp);
}
atom->avec->write_restart_settings(fp);
write_bigint(NATOMS,natoms);
write_int(NTYPES,atom->ntypes);
@ -579,7 +569,7 @@ void WriteRestart::file_layout(int send_size)
if (mpiioflag) {
if (me == 0) headerOffset = ftell(fp);
MPI_Bcast(&headerOffset,1,MPI_LONG,0,world);
MPI_Bcast(&headerOffset,1,MPI_LMP_BIGINT,0,world);
}
}