Commit 8627cdc0 by Francois Gygi


git-svn-id: cba15fb0-1239-40c8-b417-11db7ca47a34
parent 2b6d2d7d
......@@ -7,7 +7,15 @@ preferrable to use a single-column context when nst is small to avoid
memory problems.
Wavefunction.C: Changed allocation of sd context to column-major order to get
contiguous nodes in context columns.
Wavefunction.C: Changed maxiter to 500 and dmu to 2 eV in update_occ.
Nrowmax.h: add update_occ when changing nrowmax.
Matrix.C:219 and similar: removed assert. Some valptr may be 0 on some blocks.
SlaterDet.C: print sdcontext dimensions in SlaterDet::info.
rel1_19_0 2004-10-04
BOSampleStepper.C: Implemented simple charge mixing for SCF iterations.
Disabled potential mixing.
SpeciesReader.C: fixed parsing of species files.
......@@ -16,8 +24,10 @@ caused segfaults when saving sample.
Base64Transcoder.[Ch]: added cstdio style interface for print function.
FourierTransform.[Ch]: implemented timers, activated if TIMING is defined.
testFourierTransform.C: updated to print timing info in readable form.
Known bug: Wavefunction::update_occ iteration on mu does not converge in some
rel1_18_0 2004-09-14
rel1_18_0 2004-09-14 (not for distribution)
BOSampleStepper modified for scf iterations. Update of charge density and
calculation of VHXC is taken out of EnergyFunctional.
RunCmd modified. Use run niter nitscf nite.
......@@ -3,10 +3,10 @@
// release.C
// $Id: release.C,v 1.10 2004-10-04 18:38:45 fgygi Exp $
// $Id: release.C,v 1.11 2004-10-15 18:07:06 fgygi Exp $
#include "release.h"
std::string release(void)
return std::string("1.19.0");
return std::string("1.20.0");
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