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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@371 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2007-03-08 00:54:02 +00:00
parent a70ee2eadc
commit 9e1f8bcd6a
64 changed files with 1785 additions and 772 deletions
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19
src/dump.cpp
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@ -18,6 +18,7 @@
#include "dump.h"
#include "atom.h"
#include "update.h"
#include "domain.h"
#include "group.h"
#include "output.h"
#include "memory.h"
@ -118,6 +119,24 @@ void Dump::write()
if (multifile) openfile();
// simulation box bounds
if (domain->triclinic == 0) {
boxxlo = domain->boxxlo;
boxxhi = domain->boxxhi;
boxylo = domain->boxylo;
boxyhi = domain->boxyhi;
boxzlo = domain->boxzlo;
boxzhi = domain->boxzhi;
} else {
boxxlo = domain->boxlo_bound[0];
boxxhi = domain->boxhi_bound[0];
boxylo = domain->boxlo_bound[1];
boxyhi = domain->boxhi_bound[1];
boxzlo = domain->boxlo_bound[2];
boxzhi = domain->boxhi_bound[2];
}
// nme = # of dump lines this proc will contribute to dump
// ntotal = total # of dump lines
// nmax = max # of dump lines on any proc