From 3a6eea5479fb2858654d09ebcb1ce50efb7c84d5 Mon Sep 17 00:00:00 2001 From: Sambit Das Date: Tue, 8 Oct 2019 08:51:54 -0400 Subject: [PATCH] minor change to make ctests pass --- src/dft/moveAtoms.cc | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) 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; }