Commit b7328743 by Francois Gygi

synchronize atomset if cell moves


git-svn-id: http://qboxcode.org/svn/qb/trunk@960 cba15fb0-1239-40c8-b417-11db7ca47a34
parent 6f6578f3
......@@ -358,7 +358,7 @@ void BOSampleStepper::step(int niter)
if ( onpe0 )
cout << "<iteration count=\"" << iter+1 << "\">\n";
if ( ionic_stepper )
if ( ionic_stepper || cell_stepper )
atoms.sync();
// compute energy and ionic forces using existing wavefunction
......
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