Sulphur parameters in ZINDO/S

• 报告人: mikiya_fujii
• 属主: mikiya_fujii
• 类型: Patches
• 状态: 关闭
• 组件: (无)
• 里程碑: ver0.3.0 (关闭)
• 优先: 5 - Medium
• 严重性: 5 - Medium
• 处理结果: Fixed
• 文件: 无

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.)

任务单历史 (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
• 处理结果 Update from 无 to Fixed
• 状态 Update from 开启 to 关闭

评论

fixed at r1581

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

• 状态 Update from 关闭 to 开启

评论

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
• 状态 Update from 开启 to 关闭

评论

fixed of test of thiophene at r 1584