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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1193 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2007-11-30 21:54:30 +00:00
parent d9df67ded2
commit 8fb52958ce
124 changed files with 4220 additions and 3618 deletions
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21
src/respa.cpp
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@ -273,26 +273,9 @@ void Respa::init()
virial_style = 1;
// elist,vlist = list of computes for PE and pressure
// setup lists of computes for global and per-atom PE and pressure
delete [] elist;
delete [] vlist;
elist = vlist = NULL;
nelist = nvlist = 0;
for (int i = 0; i < modify->ncompute; i++) {
if (modify->compute[i]->peflag) nelist++;
if (modify->compute[i]->pressflag) nvlist++;
}
if (nelist) elist = new Compute*[nelist];
if (nvlist) vlist = new Compute*[nvlist];
nelist = nvlist = 0;
for (int i = 0; i < modify->ncompute; i++) {
if (modify->compute[i]->peflag) elist[nelist++] = modify->compute[i];
if (modify->compute[i]->pressflag) vlist[nvlist++] = modify->compute[i];
}
ev_setup();
// step[] = timestep for each level