Commit cbefcba0 by Francois Gygi

rel1_23_2


git-svn-id: http://qboxcode.org/svn/qb/trunk@342 cba15fb0-1239-40c8-b417-11db7ca47a34
parent d8214c9c
......@@ -7,10 +7,27 @@ preferrable to use a single-column context when nst is small to avoid
memory problems.
--------------------------------------------------------------------------------
rel1_23_2
FourierTransform.C: Fixed bug #39: When unit cells are non-orthogonal, the
transforms along x are not done correctly. Bounds including all non-zero
transforms are redefined.
Basis.C: Simplified basis set construction.
NonLocalPotential.C: removed variables used in old implementation (pre 1.23.0)
--------------------------------------------------------------------------------
rel1_23_1
PSDAWavefunctionStepper.C: Reset default theta for negative curvature to 0.0.
AndersonMixer: added settable default theta value for negative curvature.
--------------------------------------------------------------------------------
rel1_23_0
Added SDA algorithm for atoms dynamics: Anderson acceleration of SD.
New implementation of NonLocalPotential::energy, recomputing anl array at
every call.
Modified IonicStepper to make ekin and temp virtual. Implemented only in
MDIonicStepper.
-------------------------------------------------------------------------------- rel1_23_0 Added SDA algorithm for atoms dynamics: Anderson acceleration of SD. New implementation of NonLocalPotential::energy, recomputing anl array at every call. Modified IonicStepper to make ekin and temp virtual. Implemented only in MDIonicStepper. -------------------------------------------------------------------------------- rel1_22_0 BOSampleStepper.C: new implementation of Kerker-Anderson charge mixing. new variables charge_mix_rcut and charge_mix_coeff introduced: determine
rel1_22_0
BOSampleStepper.C: new implementation of Kerker-Anderson charge mixing.
new variables charge_mix_rcut and charge_mix_coeff introduced: determine
the Kerker cutoff and mixing coefficient parameters.
--------------------------------------------------------------------------------
rel1_21_0
......
......@@ -3,10 +3,10 @@
// release.C
//
////////////////////////////////////////////////////////////////////////////////
// $Id: release.C,v 1.16 2004-12-18 23:20:39 fgygi Exp $
// $Id: release.C,v 1.17 2005-01-04 22:09:33 fgygi Exp $
#include "release.h"
std::string release(void)
{
return std::string("1.23.1");
return std::string("1.23.2");
}
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