From owner-chemistry[ AT ]ccl.net Thu Jan 25 08:06:01 2007 From: "John McKelvey jmmckel ~~ gmail.com" To: CCL Subject: CCL: NWCHEM Geometry Optimizer Message-Id: <-33434-070125074427-20863-oGuO15V1E9bplrR8YGqk2Q**server.ccl.net> X-Original-From: "John McKelvey" Content-Type: multipart/alternative; boundary="----=_Part_21290_27630514.1169727301322" Date: Thu, 25 Jan 2007 07:15:01 -0500 MIME-Version: 1.0 Sent to CCL by: "John McKelvey" [jmmckel{=}gmail.com] ------=_Part_21290_27630514.1169727301322 Content-Type: text/plain; charset=ISO-8859-1; format=flowed Content-Transfer-Encoding: 7bit Content-Disposition: inline Hello! Does anyone know if the NWCHEM geometry optimizer can be readily invoked > from outside NWCHEM? Thanks! John McKelvey ------=_Part_21290_27630514.1169727301322 Content-Type: text/html; charset=ISO-8859-1 Content-Transfer-Encoding: 7bit Content-Disposition: inline Hello!

Does anyone know if the NWCHEM geometry optimizer can be readily invoked from outside NWCHEM?

Thanks!

John McKelvey
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