Output on/off of DIIS and "eMax"

• Reporter: mikiya_fujii
• 소유자: mikiya_fujii
• Type: Feature Requests
• Status: Closed
• Component: (None)
• MileStone: ver0.3.0 (closed)
• Priority: 5 - Medium
• Severity: 5 - Medium
• Resolution: Fixed
• File: None

Details

Output on/off of DIIS and "eMax" of Cndo2::DoDIIS for each SCF step.

Ticket History (2/2 Histories)

2013-01-21 18:12 Updated by: mikiya_fujii

• New Ticket "Output on/off of DIIS and "eMax" " created

2013-01-23 07:14 Updated by: mikiya_fujii

• Resolution Update from None to Fixed
• Status Update from Open to Closed
• Ticket Close date is changed to 2013-01-23 07:14

댓글 올리기

Fixed at r1246 . The "eMax" was renamed to "diisError" in Cndo2::DoDIIS.