Commit 238afbbb by Francois Gygi

synchronize atomset if cell moves


git-svn-id: http://qboxcode.org/svn/qb/trunk@961 cba15fb0-1239-40c8-b417-11db7ca47a34
parent b7328743
......@@ -145,7 +145,7 @@ void CPSampleStepper::step(int niter)
if ( s_.ctxt_.mype() == 0 )
cout << "<iteration count=\"" << iter+1 << "\">\n";
if ( mdionic_stepper )
if ( mdionic_stepper || cell_stepper )
atoms.sync();
mdwf_stepper->update(dwf);
......
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