Max number of symmetry independent centers

Posted by Agris Klimkans on June 30, 2001 at 23:27:10:

I would like to calculate a cluster embedded in a large number of external point charges. According to the documentation of MOLCAS v5.0, the max number of symmetry independent centers is 2000. Does this number include also point charges? If yes, then how to increase this number from 2000 to 10000? Is it easy?

Follow Ups:

• Re: Max number of symmetry independent centers Coen de Graaf 15:17:38 7/11/01 (1)
  • Eric Shmookler, M.D. : Max number of symmetry independent centers Eric Shmookler, M.D. 15:57:16 2/05/02 (0) 204.74.0.139

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: I would like to calculate a cluster embedded in a large number of external point charges. According to the documentation of MOLCAS v5.0, the max number of symmetry independent centers is 2000. Does this number include also point charges? If yes, then how to increase this number from 2000 to 10000? Is it easy?