From 6ccf4b452592102d37fa30e72049b678bada4d70 Mon Sep 17 00:00:00 2001 From: sjplimp Date: Sat, 20 Aug 2016 22:41:29 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15481 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- src/dump.cpp | 26 ++++++++++---------------- 1 file changed, 10 insertions(+), 16 deletions(-) diff --git a/src/dump.cpp b/src/dump.cpp index 8849282bb9..3198429519 100644 --- a/src/dump.cpp +++ b/src/dump.cpp @@ -298,6 +298,9 @@ int Dump::count() void Dump::write() { + imageint *imagehold; + double **xhold,**vhold; + // if file per timestep, open new file if (multifile) openfile(); @@ -377,15 +380,12 @@ void Dump::write() memcpy(&vpbc[0][0],&atom->v[0][0],3*nlocal*sizeof(double)); memcpy(imagepbc,atom->image,nlocal*sizeof(imageint)); } - double **dtmp = atom->x; + xhold = atom->x; + vhold = atom->v; + imagehold = atom->image; atom->x = xpbc; - xpbc = dtmp; - dtmp = atom->v; atom->v = vpbc; - vpbc = dtmp; - imageint *itmp = atom->image; atom->image = imagepbc; - imagepbc = itmp; domain->pbc(); } @@ -468,17 +468,11 @@ void Dump::write() } // restore original x,v,image unaltered by PBC - + if (pbcflag) { - double **dtmp = atom->x; - atom->x = xpbc; - xpbc = dtmp; - dtmp = atom->v; - atom->v = vpbc; - vpbc = dtmp; - imageint *itmp = atom->image; - atom->image = imagepbc; - imagepbc = itmp; + atom->x = xhold; + atom->v = vhold; + atom->image = imagehold; } // if file per timestep, close file if I am filewriter