Commit 6c47fdcc authored by Mark Friedrichs's avatar Mark Friedrichs
Browse files

Comment back in ccma loop

parent 26bf988d
...@@ -1352,11 +1352,9 @@ void gpuSetConstraintParameters(gpuContext gpu, const vector<int>& atom1, const ...@@ -1352,11 +1352,9 @@ void gpuSetConstraintParameters(gpuContext gpu, const vector<int>& atom1, const
// Find connected constraints for CCMA. // Find connected constraints for CCMA.
vector<int> ccmaConstraints; vector<int> ccmaConstraints;
/*
for (unsigned i = 0; i < atom1.size(); i++) for (unsigned i = 0; i < atom1.size(); i++)
if (!isShakeAtom[atom1[i]]) if (!isShakeAtom[atom1[i]])
ccmaConstraints.push_back(i); ccmaConstraints.push_back(i);
*/
// Record the connections between constraints. // Record the connections between constraints.
......
Markdown is supported
0% or .
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment