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Unverified Commit 12191c31 authored by Peter Eastman's avatar Peter Eastman Committed by GitHub
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Restore call to updateContextState() (#4754)

parent 87810125
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openmmapi/src/NoseHooverIntegrator.cpp
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...@@ -359,6 +359,7 @@ void NoseHooverIntegrator::step(int steps) { ...@@ -359,6 +359,7 @@ void NoseHooverIntegrator::step(int steps) {
if (context == NULL) if (context == NULL)
throw OpenMMException("This Integrator is not bound to a context!"); throw OpenMMException("This Integrator is not bound to a context!");
for (int i = 0; i < steps; ++i) { for (int i = 0; i < steps; ++i) {
context->updateContextState();
context->calcForcesAndEnergy(true, false, getIntegrationForceGroups()); context->calcForcesAndEnergy(true, false, getIntegrationForceGroups());
kernel.getAs<IntegrateNoseHooverStepKernel>().execute(*context, *this); kernel.getAs<IntegrateNoseHooverStepKernel>().execute(*context, *this);
} }
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