Commit 14324a17 by Francois Gygi

reintroduced wf extrapolation for nite>1


git-svn-id: http://qboxcode.org/svn/qb/trunk@901 cba15fb0-1239-40c8-b417-11db7ca47a34
parent c25c7791
......@@ -179,7 +179,7 @@ void BOSampleStepper::step(int niter)
const string atoms_dyn = s_.ctrl.atoms_dyn;
const string cell_dyn = s_.ctrl.cell_dyn;
const bool extrapolate_wf = ( atoms_dyn == "MD" ) && ( nite_ == 1 );
const bool extrapolate_wf = ( atoms_dyn == "MD" );
const bool ntc_extrapolation =
s_.ctrl.debug.find("NTC_EXTRAPOLATION") != string::npos;
......
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