Commit f3285651 by Francois Gygi

Removed calls to NonLocalPotential::update_eigr and update_anl.


git-svn-id: http://qboxcode.org/svn/qb/trunk@338 cba15fb0-1239-40c8-b417-11db7ca47a34
parent 0d8e21cc
......@@ -3,7 +3,7 @@
// EnergyFunctional.C
//
////////////////////////////////////////////////////////////////////////////////
// $Id: EnergyFunctional.C,v 1.20 2004-10-04 18:37:13 fgygi Exp $
// $Id: EnergyFunctional.C,v 1.21 2005-01-04 22:07:17 fgygi Exp $
#include "EnergyFunctional.h"
#include "Sample.h"
......@@ -804,9 +804,6 @@ void EnergyFunctional::atoms_moved(void)
}
}
nlp->update_eigr(tau0);
nlp->update_anl();
// compute esr: pseudocharge repulsion energy
const UnitCell& cell = s_.wf.cell();
const double omega_inv = 1.0 / cell.volume();
......
Markdown is supported
0% or
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment