Merge pull request #756 from peastman/variable

Fixed uninitialized memory in variable step size integrators

openmmapi/src/VariableLangevinIntegrator.cpp

@@ -49,6 +49,7 @@ VariableLangevinIntegrator::VariableLangevinIntegrator(double temperature, doubl
     setErrorTolerance(errorTol);
     setConstraintTolerance(1e-5);
     setRandomNumberSeed(osrngseed());
+    setStepSize(0.0);
 }
 
 void VariableLangevinIntegrator::initialize(ContextImpl& contextRef) {

openmmapi/src/VariableVerletIntegrator.cpp

@@ -43,6 +43,7 @@ using std::vector;
 
 VariableVerletIntegrator::VariableVerletIntegrator(double errorTol) : errorTol(errorTol) {
     setConstraintTolerance(1e-5);
+    setStepSize(0.0);
 }
 
 void VariableVerletIntegrator::initialize(ContextImpl& contextRef) {