Bugs in MD_pac.c of OpenMX Ver. 3.0 |
- Date: 2006/03/24 00:54
- Name: T.Ozaki
- Dear all,
Bugs were fixed in a routine 'MD_pac.c' of OpenMX Ver. 3.0. If you perform the DIIS geometry optimization, please replace this routine by http://staff.aist.go.jp/t-ozaki/bugfixed/06Mar24/MD_pac.c
Thank you for your cooperation in advance.
T.Ozaki
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