Fixed uninitialized memory in variable step size integrators

a7ab2753 · peastman · 066cdd60 · a7ab2753 · a7ab2753
Commit a7ab2753 authored Dec 03, 2014 by peastman
Showing with 2 additions and 0 deletions

openmmapi/src/VariableLangevinIntegrator.cpp openmmapi/src/VariableLangevinIntegrator.cpp +1 -0

openmmapi/src/VariableVerletIntegrator.cpp openmmapi/src/VariableVerletIntegrator.cpp +1 -0

No files found.
--- a/openmmapi/src/VariableLangevinIntegrator.cpp
+++ b/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) {

--- a/openmmapi/src/VariableVerletIntegrator.cpp
+++ b/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) {