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2014年 7月 21日 (月) 18:35:26 JST
#34062: Use GEDIIS superposed force to calculate RFO step Open Date: 2014-07-21 18:35 Last Update: 2014-07-21 18:35 URL for this Ticket: http://sourceforge.jp/ticket/browse.php?group_id=6231&tid=34062 RSS feed for this Ticket: http://sourceforge.jp/ticket/ticket_rss.php?group_id=6231&tid=34062 --------------------------------------------------------------------- Last Changes/Comment for this Ticket: 2014-07-21 18:35 Update by: ktns * New Ticket "Use GEDIIS superposed force to calculate RFO step" created --------------------------------------------------------------------- Ticket Status: Reporter: ktns Owner: ktns Type: バグ Status: オープン Priority: 5 - 中 MileStone: ver0.4.0 Component: (未割り当て) Severity: 5 - 中 Resolution: なし --------------------------------------------------------------------- Ticket details: According to Eq.7 of Ref. LF_2006, the RFO step as a 2nd order correction of the GEDIIS geometry, should be calculated by the GEDIIS superposed force, instead of the force obtained from previous geometry. -- This is Ticket on Project MolDS. MolDS Project hosted on SourceForge.JP. Project URL: http://sourceforge.jp/projects/molds SourceForge.JP: http://sourceforge.jp URL for this Ticket: http://sourceforge.jp/ticket/browse.php?group_id=6231&tid=34062 RSS feed for this Ticket: http://sourceforge.jp/ticket/ticket_rss.php?group_id=6231&tid=34062