[molpro-user] Parallel calculation of SA-MCSCF gradient

Takao Kobayashi tkoba at rc.m-kagaku.co.jp
Fri Nov 19 01:58:45 GMT 2004

Dear molpro-users and developers,

I would like to know whether MOLPRO2002 parallel version can calculate
SA-MCSCF gradient and nonadiabatic coupling element with parallel mode.

Takao Kobayashi
                    Dr. Takao Kobayashi
                 Mitsubishi Chemical Group
          Science & Technology Research Center, Inc.
   1000 Kamoshida-cho, Aoba-ku, Yokohama 227-8502, Japan

           e-mail:  tkoba at rc.m-kagaku.co.jp
           Tel:     (+81) 45-963-3834
           Fax:     (+81) 45-963-3835

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