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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12223 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2014-07-29 21:46:50 +00:00
parent e4abe8ee03
commit 8047d6058e
6 changed files with 473 additions and 192 deletions
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15
src/balance.cpp
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@ -279,14 +279,14 @@ void Balance::command(int narg, char **arg)
if (style == XYZ) {
if (comm->layout == LAYOUT_UNIFORM) {
if (xflag == USER || yflag == USER || zflag == USER)
comm->layout == LAYOUT_NONUNIFORM;
comm->layout = LAYOUT_NONUNIFORM;
} else if (comm->style == LAYOUT_NONUNIFORM) {
if (xflag == UNIFORM && yflag == UNIFORM && zflag == UNIFORM)
comm->layout == LAYOUT_UNIFORM;
comm->layout = LAYOUT_UNIFORM;
} else if (comm->style == LAYOUT_TILED) {
if (xflag == UNIFORM && yflag == UNIFORM && zflag == UNIFORM)
comm->layout == LAYOUT_UNIFORM;
else comm->layout == LAYOUT_NONUNIFORM;
comm->layout = LAYOUT_UNIFORM;
else comm->layout = LAYOUT_NONUNIFORM;
}
if (xflag == UNIFORM) {
@ -476,6 +476,7 @@ int *Balance::bisection(int sortflag)
if (!rcb) rcb = new RCB(lmp);
// NOTE: lo/hi args could be simulation box or particle bounding box
// if particle bbox, then mysplit needs to be reset to sim box
// NOTE: triclinic needs to be in lamda coords
int dim = domain->dimension;
@ -488,6 +489,10 @@ int *Balance::bisection(int sortflag)
// NOTE: this logic is specific to orthogonal boxes, not triclinic
comm->rcbnew = 1;
comm->rcbcut = rcb->cut;
comm->rcbcutdim = rcb->cutdim;
double (*mysplit)[2] = comm->mysplit;
mysplit[0][0] = (rcb->lo[0] - boxlo[0]) / prd[0];
@ -502,6 +507,8 @@ int *Balance::bisection(int sortflag)
if (rcb->hi[2] == boxhi[2]) mysplit[2][1] = 1.0;
else mysplit[2][1] = (rcb->hi[2] - boxlo[2]) / prd[2];
// return list of procs to send my atoms to
return rcb->sendproc;
}