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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11842 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2014-04-29 23:10:42 +00:00
parent f3e58c8d0a
commit 99f44f64cc
2 changed files with 46 additions and 41 deletions
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8
lib/gpu/lal_sw.cpp
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@ -112,8 +112,12 @@ int SWT::init(const int ntypes, const int nlocal, const int nall, const int max_
sw3.alloc(nparams,*(this->ucl_device),UCL_READ_ONLY);
for (int i=0; i<nparams; i++) {
dview[i].x=static_cast<numtyp>(cut[i]);
dview[i].y=static_cast<numtyp>(cutsq[i]);
double sw_cut = cut[i];
double sw_cutsq = cutsq[i];
if (sw_cutsq>=sw_cut*sw_cut)
sw_cutsq=sw_cut*sw_cut-1e-4;
dview[i].x=static_cast<numtyp>(sw_cut);
dview[i].y=static_cast<numtyp>(sw_cutsq);
dview[i].z=static_cast<numtyp>(costheta[i]);
dview[i].w=(numtyp)0;
}