Commit 869fe59a by Francois Gygi

release 1.17.1 (Note tags 1.18.0 and 1.19.0 removed, both replaced by 1.17.1,…

release 1.17.1 (Note tags 1.18.0 and 1.19.0 removed, both replaced by 1.17.1, since changes are only bug fixes.


git-svn-id: http://qboxcode.org/svn/qb/trunk@249 cba15fb0-1239-40c8-b417-11db7ca47a34
parent 45e29976
......@@ -7,15 +7,13 @@ preferrable to use a single-column context when nst is small to avoid
memory problems.
--------------------------------------------------------------------------------
rel1_19_0 2004-08-18
rel1_17_1 2004-08-18
Fixed bug #27: overrun of variable tmpfion in NonLocalPotential.C is due to
incorrect index calculation in situations where na[is] % (ntasks/nrowmax) != 0.
This is the case for (CdSe)_110 on 128 tasks, nrowmax=32, since na[is]/4 = 27.5.
Note: bug #27 does not affect calculations with a single non-local projector
(npr[is]==1).
--------------------------------------------------------------------------------
rel1_18_0 2004-08-13
Corrected LDAFunctional.C: incorrect use of Perdew-Zunger caused small
Fixed bug #33 LDAFunctional.C: incorrect use of Perdew-Zunger caused small
differences (~1.e-3 a.u.) in total energy when compared to other codes.
The adjustment of the constant gamma to make the PZ energy function continuous
was incorrect. Instead, the constants C and D must be adjusted to ensure
......
......@@ -3,10 +3,10 @@
// release.C
//
////////////////////////////////////////////////////////////////////////////////
// $Id: release.C,v 1.7 2004-08-19 00:00:00 fgygi Exp $
// $Id: release.C,v 1.8 2004-08-19 00:27:32 fgygi Exp $
#include "release.h"
std::string release(void)
{
return std::string("1.19.0");
return std::string("1.17.1");
}
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