Commit 0edf60be by Francois Gygi

rel1_48_1 cleanup


git-svn-id: http://qboxcode.org/svn/qb/trunk@711 cba15fb0-1239-40c8-b417-11db7ca47a34
parent 85b9d4de
......@@ -15,7 +15,7 @@
// SlaterDet.C
//
////////////////////////////////////////////////////////////////////////////////
// $Id: SlaterDet.C,v 1.55 2009-08-14 17:06:43 fgygi Exp $
// $Id: SlaterDet.C,v 1.56 2009-08-14 17:58:01 fgygi Exp $
#include "SlaterDet.h"
#include "FourierTransform.h"
......@@ -1376,8 +1376,8 @@ void SlaterDet::print(ostream& os, string encoding, double weight, int ispin,
}
////////////////////////////////////////////////////////////////////////////////
void SlaterDet::write(SharedFilePtr& sfp, string encoding, double weight, int ispin,
int nspin) const
void SlaterDet::write(SharedFilePtr& sfp, string encoding, double weight,
int ispin, int nspin) const
{
FourierTransform ft(*basis_,basis_->np(0),basis_->np(1),basis_->np(2));
vector<complex<double> > wftmp(ft.np012loc());
......
To do:
Fix the ndim>0 Anderson charge mixing to avoid singular systems
1.48.1_beta_x try Tikhonov regularization of the Anderson LS problem
--------------------------------------------------------------------------------
rel1_48_1 candidate
rel1_48_1
SlaterDet.C: fix bug in SlaterDet::write for -text mode
BOSampleStepper.C: modified Kerker weights. Added mixer.reset() call.
AtomCmd.h: fixed text of help message.
......
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