bug in CELL_OPT and NPT_F with QS

Laino Teodoro teodor... at gmail.com
Fri May 29 23:29:11 UTC 2009

Dear all,

I just committed an important bug fix in the CVS. All people  
interested in CELL optimization (involving a change in the angles of  
the cell) and in running NPT_F MD should use an updated cvs version.  
The bug affects QS/KG only (FIST is not affected). It involves only  
the non-diagonal part of the stress tensor, therefore NPT_I MD and  
CELL_OPT simulations (with KEEP_ANGLES set to TRUE) are not affected.
Apologies for that.


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