Sulphur parameters in ZINDO/S

• Informador: mikiya_fujii
• Propietario: mikiya_fujii
• Tipo: Patches
• Estado: Cerrado
• Componente: (Ninguno)
• Hito: ver0.3.0 (cerrado)
• Prioridad: 5 - Medium
• Gravedad: 5 - Medium
• Resolución: Fixed
• Fichero: Ninguno

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
• Resolución Update from Ninguno to Fixed
• Estado Update from Open to Cerrado

Comentario

fixed at r1581

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

• Estado Update from Cerrado to Open

Comentario

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 Open to Cerrado

Comentario

fixed of test of thiophene at r 1584