[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
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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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