From cdac.ernet.in!gadre-!at!-parcom.ernet.in Tue Jan 23 06:21:25 1996 Received: from sangam.ncst.ernet.in for cdac.ernet.in!gadre-: at :-parcom.ernet.in by www.ccl.net (8.6.10/950822.1) id GAA09659; Tue, 23 Jan 1996 06:15:05 -0500 Received: from parcom.UUCP (uucp /at\localhost) by sangam.ncst.ernet.in (8.6.12/8.6.6) with UUCP id QAA07091 for CHEMISTRY /at\www.ccl.net; Tue, 23 Jan 1996 16:46:21 +0530 Received: from parcom.UUCP by iucaa (4.1/SMI-4.1) id AA08289; Tue, 23 Jan 96 15:19:56+050 Received: by parcom.cdac.ernet.in (4.1/SMI-4.1) id AA20957; Tue Jan 23 14:49:15 1996 (GMT + 0530) Date: Tue Jan 23 14:49:15 1996 (GMT + 0530) From: gadre;at;cdac.ernet.in Message-Id: <9601230919.AA20957.,at,.parcom.cdac.ernet.in> To: CHEMISTRY&$at$&www.ccl.net Subject: Geometry optimization : Subroutines available Dear Sirs : We are interested in comparing and contrasting performance of various subroutines used for geometry optimization (in quantum chemistry). Please share with us the information on the nonlinear optimization routines used by you, literature reference for the same, whether it is a public domain software, whether it uses gradients...etc. Many thanks and wishes for a happy 1996! ...................................................Shridhar Gadre January 23, 1996.