Commit 05f21826 by Francois Gygi


git-svn-id: cba15fb0-1239-40c8-b417-11db7ca47a34
parent 9483ae90
......@@ -52,11 +52,19 @@ Mon May 3 16:34:49 PDT 2004
xlC 6.0 is broken when using the -D_LARGE_FILES macro. Reverted to
USE_CSTDIO_LFS for large file support as on mcr.
Fixed bug: stop on assert in NonLocalPotential for l=1 or l=2 projectors
Fixed bug: Matrix::init_size() with zero dimensions.
Added R option for the cell_lock variable: rescale unit cell only (keep aspect
ratio fixed).
Corrected inconsistencies between BOSampleStepper.C and CPSampleStepper.C as
regards printing of variables during a run: unit_cell, enthalpy, pv.
Known bugs:
-Stops on assert in NonLocalPotential::update_twnl() for l=1 or l=2 projectors
-Crashes when defining a species without using it, i.e. species with zero atoms.
Traced to incorrect initialization of sizes in Matrix.C
Fixed calculation of ekin_e in MDWavefunctionStepper.C to avoid small error
......@@ -3,9 +3,9 @@
// qb.C
// $Id: qb.C,v 1.36 2004-05-04 21:27:01 fgygi Exp $
// $Id: qb.C,v 1.37 2004-05-06 20:41:36 fgygi Exp $
const char* const release = "1.15.0";
const char* const release = "1.15.1";
const char* const xmlns_url = "";
#include <iostream>
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