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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4786 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2010-09-14 15:23:12 +00:00
parent 83c1c61d5b
commit e453dab613
9 changed files with 45 additions and 414 deletions
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27
src/read_restart.cpp
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@ -21,6 +21,7 @@
#include "atom_vec.h"
#include "domain.h"
#include "comm.h"
#include "irregular.h"
#include "update.h"
#include "modify.h"
#include "fix.h"
@ -236,12 +237,10 @@ void ReadRestart::command(int narg, char **arg)
delete [] perproc;
// save modify->nfix_restart values, so Modify::init() won't whack them
// create a temporary fix to hold extra atom info
// necessary b/c Atom::init() will destroy atom->extra
// create a temporary fix to hold and migrate extra atom info
// necessary b/c irregular will migrate atoms
if (nextra) {
modify->nfix_restart_save = 1;
char cextra[8],fixextra[8];
sprintf(cextra,"%d",nextra);
sprintf(fixextra,"%d",modify->nfix_restart_peratom);
@ -255,28 +254,22 @@ void ReadRestart::command(int narg, char **arg)
delete [] newarg;
}
// init entire system before comm->irregular
// comm::init needs neighbor::init needs pair::init needs kspace::init, etc
// move atoms to new processors via irregular()
// in case read by totally different proc than wrote restart file
// in case read by different proc than wrote restart file
if (me == 0 && screen)
fprintf(screen," system init for parallel read_restart ...\n");
lmp->init();
if (domain->triclinic) domain->x2lamda(atom->nlocal);
domain->reset_box();
comm->setup();
comm->irregular();
Irregular *irregular = new Irregular(lmp);
irregular->migrate_atoms();
delete irregular;
if (domain->triclinic) domain->lamda2x(atom->nlocal);
// unsave modify->nfix_restart values and atom->extra
// put extra atom info held by fix back into atom->extra
// destroy temporary fix
if (nextra) {
modify->nfix_restart_save = 0;
atom->nextra_store = nextra;
memory->destroy_2d_double_array(atom->extra);
atom->extra = memory->create_2d_double_array(atom->nmax,nextra,
"atom:extra");
"atom:extra");
int ifix = modify->find_fix("_read_restart");
FixReadRestart *fix = (FixReadRestart *) modify->fix[ifix];
int *count = fix->count;