Speed up of calculating the force

• Informador: mikiya_fujii
• Propietario: mikiya_fujii
• Tipo: Patches
• Estado: Cerrado
• Componente: (Ninguno)
• Hito: ver0.3.0 (cerrado)
• Prioridad: 6
• Gravedad: 6
• Resolución: Fixed
• Fichero: Ninguno

Details

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

• Tipo Update from Bugs to Patches

2013-03-10 22:19 Updated by: mikiya_fujii

Comentario

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

2013-03-29 14:33 Updated by: mikiya_fujii

• Resolución Update from Ninguno to Fixed
• Estado Update from Open to Cerrado
• Ticket Close date is changed to 2013-03-29 14:33

Comentario

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.