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Commit 05423d24 authored by Robert McGibbon's avatar Robert McGibbon
Browse files

fix bug

parent 8e9f7934
...@@ -41,8 +41,10 @@ public: ...@@ -41,8 +41,10 @@ public:
inverseMasses(inverseMasses), tolerance(tolerance), threadSettle(threadSettle) { inverseMasses(inverseMasses), tolerance(tolerance), threadSettle(threadSettle) {
} }
void execute(ThreadPool& threads, int threadIndex) { void execute(ThreadPool& threads, int threadIndex) {
if (threadIndex < threadSettle.size()) {
threadSettle[threadIndex]->apply(atomCoordinates, atomCoordinatesP, inverseMasses, tolerance); threadSettle[threadIndex]->apply(atomCoordinates, atomCoordinatesP, inverseMasses, tolerance);
} }
}
vector<OpenMM::RealVec>& atomCoordinates; vector<OpenMM::RealVec>& atomCoordinates;
vector<OpenMM::RealVec>& atomCoordinatesP; vector<OpenMM::RealVec>& atomCoordinatesP;
vector<RealOpenMM>& inverseMasses; vector<RealOpenMM>& inverseMasses;
......
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