Commit 3cf23d20 authored by Andy Simmonett's avatar Andy Simmonett
Browse files

Small fix to rec space OPT, to fix out-of-bounds read.

parent 3d04b720
......@@ -5979,7 +5979,7 @@ RealOpenMM AmoebaReferencePmeMultipoleForce::computeReciprocalSpaceInducedDipole
inducedDipolePolar[0] = _ptDipoleP[l][i][0]*cartToFrac[0][0] + _ptDipoleP[l][i][1]*cartToFrac[0][1] + _ptDipoleP[l][i][2]*cartToFrac[0][2];
inducedDipolePolar[1] = _ptDipoleP[l][i][0]*cartToFrac[1][0] + _ptDipoleP[l][i][1]*cartToFrac[1][1] + _ptDipoleP[l][i][2]*cartToFrac[1][2];
inducedDipolePolar[2] = _ptDipoleP[l][i][0]*cartToFrac[2][0] + _ptDipoleP[l][i][1]*cartToFrac[2][1] + _ptDipoleP[l][i][2]*cartToFrac[2][2];
for(int m = 0; m < _maxPTOrder-1; ++m) {
for(int m = 0; m < _maxPTOrder-1-l; ++m) {
RealOpenMM p = _OPTPartCoefficients[l+m+1];
if(std::fabs(p) < 1e-6) continue;
for (int k = 0; k < 3; k++) {
......
Markdown is supported
0% or .
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment