Sulphur parameters in ZINDO/S

• Relator: mikiya_fujii
• Dono: mikiya_fujii
• Tipo: Patches
• Estado: Fechado
• Componente: (Nenhum)
• Marcos: ver0.3.0 (fechado)
• Prioridade: 5 - Medium
• Gravidade: 5 - Medium
• Resolução: Fixed
• Arquivo: Nenhum

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
• Resolução Update from Nenhum to Fixed
• Estado Update from Aberto to Fechado

Comentário

fixed at r1581

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

• Estado Update from Fechado to Aberto

Comentário

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
• Estado Update from Aberto to Fechado

Comentário

fixed of test of thiophene at r 1584