FMO

• Relator: mikiya_fujii
• Dono: okymmolds
• Tipo: Feature Requests
• Estado: Aberto [Owner assigned]
• Componente: (Nenhum)
• Marcos: (Nenhum)
• Prioridade: 5 - Medium
• Gravidade: 5 - Medium
• Resolução: Nenhum
• Arquivo: Nenhum

Details

FMO for molecular aggregates. Each fragment is calculated on a node, then each fragment communicates to neighbors with MPI so as to calculate MOs of the molecular aggregates.

Ticket History (2/2 Histories)

2012-06-19 17:55 Updated by: mikiya_fujii

• New Ticket "FMO" created

2012-10-06 00:37 Updated by: okymmolds

• Dono Update from (Nenhum) to okymmolds