Sulphur parameters in ZINDO/S

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

Details

Sulphur parameters in ZINDO/S are changed to identical ones of ORCA. See also https://cec.mpg.de/forum/viewtopic.php?f=8&t=606 (Registration to ORCA users is needed.)

Ticket History (3/4 Histories)

2013-10-23 10:01 Updated by: mikiya_fujii

• New Ticket "Sulphur parameters in ZINDO/S" created

2013-12-19 20:06 Updated by: mikiya_fujii

• Ticket Close date is changed to 2013-12-19 20:06
• Resolution Update from None to Fixed
• Status Update from Open to Closed

댓글 올리기

fixed at r1581

2013-12-20 17:53 Updated by: mikiya_fujii

• Status Update from Closed to Open

댓글 올리기

test for thiophene is missing

2013-12-20 18:56 Updated by: mikiya_fujii

• Ticket Close date is changed to 2013-12-20 18:56
• Status Update from Open to Closed

댓글 올리기

fixed of test of thiophene at r 1584