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"...reference/tests/TestReferenceLangevinMiddleIntegrator.cpp" did not exist on "a566a07487053f5eaee59cac0a0938b790697a65"
Commit 11ef1e01 authored by peastman's avatar peastman
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DrudeForce was ignoring force groups (see bug 2012)

parent 25ea315c
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plugins/drude/openmmapi/src/DrudeForceImpl.cpp
View file @ 11ef1e01
...@@ -141,7 +141,8 @@ void DrudeForceImpl::initialize(ContextImpl& context) { ...@@ -141,7 +141,8 @@ void DrudeForceImpl::initialize(ContextImpl& context) {
} }
double DrudeForceImpl::calcForcesAndEnergy(ContextImpl& context, bool includeForces, bool includeEnergy, int groups) { double DrudeForceImpl::calcForcesAndEnergy(ContextImpl& context, bool includeForces, bool includeEnergy, int groups) {
return kernel.getAs<CalcDrudeForceKernel>().execute(context, includeForces, includeEnergy); if ((groups&(1<<owner.getForceGroup())) != 0)
return kernel.getAs<CalcDrudeForceKernel>().execute(context, includeForces, includeEnergy);
} }
std::vector<std::string> DrudeForceImpl::getKernelNames() { std::vector<std::string> DrudeForceImpl::getKernelNames() {
......
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