diff --git a/src/dft/moveAtoms.cc b/src/dft/moveAtoms.cc index 63625240f..ded01316e 100644 --- a/src/dft/moveAtoms.cc +++ b/src/dft/moveAtoms.cc @@ -442,7 +442,7 @@ void dftClass::updateAtomPositionsAndMoveMesh(const std::vector0.06)?true:false); + initNoRemesh(false,(!dftParameters::reproducible_output && maxCurrentDispAtom>0.06)?true:false); if (!dftParameters::reproducible_output) pcout << "...Reinitialization end" << std::endl; }