Commit 0f1afe6b authored by Gräser, Carsten's avatar Gräser, Carsten
Browse files

Only require decrease up to some tolerance

To avoid numerical instability we in fact allow
that the energy increase, if the relative in crease
is less than threshold 1-e14.
parent 08a319c3
Pipeline #8785 passed with stage
in 3 minutes and 53 seconds
......@@ -956,7 +956,7 @@ int main (int argc, char *argv[]) try
}
postMGEnergy = g(xi);
while(postMGEnergy>postGSEnergy)
while (std::max(postMGEnergy-postGSEnergy, 0.0) > 1e-14 * std::fabs(postGSEnergy))
{
xi *= .5;
postMGEnergy = g(xi);
......
Supports Markdown
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