From:	<d3g359 "at@at" rahman.pnl.gov>
Date:	Sun, 13 Mar 94 12:38:39 -0800
Subject:	Shell Script for Minimization

Hi. Does anyone have a unix shell script that does any kind
of minimization? I'm doing some "hand" optimizations using a
program that doesn't have gradients, and you like to
"automate" the procedure as much as possible. Any help
would be greatly appreciated. Thanks in advance. John

------------------------------------------------------------------------------
  John Nicholas                             Office: (509) 375-6559
  Senior Research Scientist                    FAX: (509) 375-6631
  Molecular Science Research Center
  Pacific Northwest Laboratory
  Mailstop K1-90
  Richland, WA 99352
------------------------------------------------------------------------------



Similar Messages
08/15/1994:  g92
03/10/1997:  all electron basis set for Pt
03/20/1997:  igo basis sets
08/12/1996:  Chemistry in C++
10/31/1994:  Simulated IR spectra
07/17/1995:  point charges in g92/g94
01/14/1997:  optimizer for basis sets
12/31/1996:  DFT Basis sets.
08/11/1993:  HF
01/25/1997:  TiO2


Raw Message Text