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Ticket #32319
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Sulphur parameters in ZINDO/S

오픈 날짜: 2013-10-23 10:01 마지막 업데이트: 2013-12-20 18:56

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

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