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Unverified Commit 4358f071 authored by Peter Eastman's avatar Peter Eastman Committed by GitHub
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Fixed error when invalidating molecules (#3460)

parent cb293447
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platforms/common/src/ComputeContext.cpp
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...@@ -389,6 +389,7 @@ bool ComputeContext::invalidateMolecules(ComputeForceInfo* force) { ...@@ -389,6 +389,7 @@ bool ComputeContext::invalidateMolecules(ComputeForceInfo* force) {
vector<mm_double4> oldVelm(paddedNumAtoms); vector<mm_double4> oldVelm(paddedNumAtoms);
vector<mm_double4> newVelm(paddedNumAtoms, mm_double4(0,0,0,0)); vector<mm_double4> newVelm(paddedNumAtoms, mm_double4(0,0,0,0));
getPosq().download(oldPosq); getPosq().download(oldPosq);
getPosqCorrection().download(oldPosqCorrection);
getVelm().download(oldVelm); getVelm().download(oldVelm);
for (int i = 0; i < numAtoms; i++) { for (int i = 0; i < numAtoms; i++) {
int index = atomIndex[i]; int index = atomIndex[i];
......
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