Writing XYZ to individual time directories

This commit is contained in:
graham
2009-01-22 21:01:14 +00:00
parent 40c1c2b2af
commit e788f80b86

View File

@ -70,7 +70,7 @@ int main(int argc, char *argv[])
{
nAveragingSteps = 0;
molecules.writeXYZ("moleculeCloud.xmol");
molecules.writeXYZ(runTime.timePath() + "/moleculeCloud.xmol");
}
Info << "ExecutionTime = " << runTime.elapsedCpuTime() << " s"