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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14860 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2016-04-22 15:55:54 +00:00
parent a4af037d1d
commit f70a764d5c
13 changed files with 495 additions and 45 deletions
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45
src/write_restart.cpp
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@ -111,28 +111,30 @@ void WriteRestart::command(int narg, char **arg)
// init entire system since comm->exchange is done
// comm::init needs neighbor::init needs pair::init needs kspace::init, etc
if (comm->me == 0 && screen)
fprintf(screen,"System init for write_restart ...\n");
lmp->init();
if (noinit == 0) {
if (comm->me == 0 && screen)
fprintf(screen,"System init for write_restart ...\n");
lmp->init();
// move atoms to new processors before writing file
// enforce PBC in case atoms are outside box
// call borders() to rebuild atom map since exchange() destroys map
// NOTE: removed call to setup_pre_exchange
// used to be needed by fixShearHistory for granular
// to move history info from neigh list to atoms between runs
// but now that is done via FIx::post_run()
// don't think any other fix needs this or should do it
// e.g. fix evaporate should not delete more atoms
// move atoms to new processors before writing file
// enforce PBC in case atoms are outside box
// call borders() to rebuild atom map since exchange() destroys map
// NOTE: removed call to setup_pre_exchange
// used to be needed by fixShearHistory for granular
// to move history info from neigh list to atoms between runs
// but now that is done via FIx::post_run()
// don't think any other fix needs this or should do it
// e.g. fix evaporate should not delete more atoms
// modify->setup_pre_exchange();
if (domain->triclinic) domain->x2lamda(atom->nlocal);
domain->pbc();
domain->reset_box();
comm->setup();
comm->exchange();
comm->borders();
if (domain->triclinic) domain->lamda2x(atom->nlocal+atom->nghost);
// modify->setup_pre_exchange();
if (domain->triclinic) domain->x2lamda(atom->nlocal);
domain->pbc();
domain->reset_box();
comm->setup();
comm->exchange();
comm->borders();
if (domain->triclinic) domain->lamda2x(atom->nlocal+atom->nghost);
}
// write single restart file
@ -220,6 +222,9 @@ void WriteRestart::multiproc_options(int multiproc_caller, int mpiioflag_caller,
else filewriter = 0;
iarg += 2;
} else if (strcmp(arg[iarg],"noinit") == 0) {
noinit = 1;
iarg++;
} else error->all(FLERR,"Illegal write_restart command");
}
}