待辦事項 #30829

Speed up of calculating the force

啟用日期: 2013-02-22 14:27 最後更新: 2013-03-29 14:33

回報者:
負責人:
類型:
狀態:
關閉
元件:
(無)
里程碑:
優先權:
6
嚴重程度:
6
處理結果:
修正
檔案:

細節

Speed up of calculating the force of both ground and excited states

Ticket History (3/4 Histories)

2013-02-22 14:27 Updated by: mikiya_fujii
  • New Ticket "Speed up of calculating the force" created
2013-03-09 06:34 Updated by: mikiya_fujii
  • 類型 Update from 問題回報 to 修補檔案
2013-03-10 22:19 Updated by: mikiya_fujii
評語

Calculation of force on the ground state is optimized at r1316 .

2013-03-29 14:33 Updated by: mikiya_fujii
  • 處理結果 Update from to 修正
  • 狀態 Update from 開啟 to 關閉
  • Ticket Close date is changed to 2013-03-29 14:33
評語

Fixed at r1333. Although calculation of forces on the ground state has been modified to be faster, forces on the excited states has not been modified to be faster well. The hot spot of the forces on the excited states is Mndo::GetAuxiliaryKNRKRElement!!!. Although this ticket is closed once, further ideas to make the hot spot be faster are needed.

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