Re: RPAC status

[gene[ AT ]eastrg2.cray.com (Eugene Fleischmann)]

 > From chemistry-request[ AT ]ccl.net Sat Aug 14 16:22:03 1993
 > Subject: RPAC status
 > To: chemistry[ AT ]ccl.net
 > Organization: Laboratory for Computational Chemistry
 > X-Mailer: ELM [version 2.3 PL11]
 > Sender: chemistry-request[ AT ]ccl.net
 >
 >
 >    Hi all!
 >      Does anyone know the current status of the RPAC program?
 >    I thought it was supposed to be incorporated into Gaussian 9x, but
 >    so far it has not come to pass.
 >      Does anyone know if it's available independantly?
 >
 >      Thanks!
 >        Dan Severance
 >        dan[ AT ]omega.chem.yale.edu
 >
 >
 > ---
 > Administrivia: This message is automatically appended by the mail exploder:
 > CHEMISTRY[ AT ]ccl.net --- everyone      CHEMISTRY-REQUEST[ AT ]ccl.net ---
 coordinator
 > OSCPOST[ AT ]ccl.net  send help from chemistry            Anon. ftp
 www.ccl.net
 > CHEMISTRY-SEARCH[ AT ]ccl.net --- search the archives, read help.search
 file first
 > ---
 >
 >
 According to Gaussian NEWS, Vol.3 No. 1:
 "Like Gaussian 90 before it, Gaussian 92 offers a built-in interface to
 Weinhold
 and coworkers' Natural Bond Orbital program (NBO; included with Gaussian 92)
 and Bouman and Hansen's RPAC program (available separately).  Gaussian 92
 supports
 the latest releases of both programs: NBO 3.1 and RPAC 9.0.
 ...RPAC 9.0's primary new feature is support for second-order propagator methods
 in the calculation of molecular properties, including the Second-Order
 Polarization
 Propagator method (SOPPA) of Odershede et. al., with appropriate modifications
 for
 localized orbitals (SOLO).
 It's now much easier to call both NBO and RPAC from within Gaussian, via several
 new keywords that may be included on the route card.  The RPA keyword requests
 an
 RPAC run at the completion of the Gaussian 92 job.  here is an example route
 card
 which runs RPAC after finishing an SCF calculation:
 RHF/6-31G* RPA
 RPAC input is included as the final section of the Gaussian 92 input stream.
 .
 .
 .
 In many cases the Density=Current option will need to be included as well; see
 the
 Gaussian 92 manual for details."
 I do not see any mention of RPAC in my Gaussian 92 manual; perhaps I overlooked
 it.
 I hope that this helps.
 Gene
 ++++++++++++++++++++++++++++++++++++++++
 	Eugene D. Fleischmann, Ph.D.
 	Computational Chemist
 	Cray Research, Inc.
 	(301)595-2695
 	gene[ AT ]eastrg2.cray.com
 ++++++++++++++++++++++++++++++++++++++++