Barostat does not reset cell offsets (#3490)

a7e6f0a9 · Peter Eastman · GitHub · 4700c52f · a7e6f0a9
Unverified Commit a7e6f0a9 authored Mar 01, 2022 by Peter Eastman Committed by GitHub Mar 01, 2022
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platforms/common/src/CommonKernels.cpp platforms/common/src/CommonKernels.cpp +0 -2

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--- a/platforms/common/src/CommonKernels.cpp
+++ b/platforms/common/src/CommonKernels.cpp
@@ -7901,8 +7901,6 @@ void CommonApplyMonteCarloBarostatKernel::scaleCoordinates(ContextImpl& context,
    kernel->setArg(2, (float) scaleZ);
    setPeriodicBoxArgs(cc, kernel, 4);
    kernel->execute(cc.getNumAtoms());
-    for (auto& offset : cc.getPosCellOffsets())
-        offset = mm_int4(0, 0, 0, 0);
    lastAtomOrder = cc.getAtomIndex();
 }