Subject: Thanks : Gaussian94 checkpoint file

From: <[email-masked]>
Date: Thu, 12 Feb 1998 10:31:22 +0900

Dear all,

   Thanks a lot to all who responed to my question.

My question was
>>Q : Is it possible for G94 to perform a following type of job?
>>
>>     1. Read in a checkpoint file(geometry,force constant etc.)
>>     2. Perform some calculation
>>     3. Save information about the calculation in a separate checkpoint
file

Thanks to you all, I was successful in running a Gaussian job using a
scripit like the following.

------------------------ test.run -------------------------------
#! /bin/csh
#
setenv g94root /home/Gaussian
source $g94root/g94/bsd/g94.login
setenv GAUSS_SCRDIR ./
cp previous.chk previous.chk.save
$g94root/g94/g94 < file2.com > file2.log
$g94root/g94/formchk previous.chk current.fchk
mv previous.chk current.chk
mv previous.chk.save previous.chk

------------------------ test.com --------------------------------
$ RunGauss
%Chk=previous.chk
# HF/6-31G FOpt=readfc SCF=Direct Geom=check Freq

This is a comment line

0 1

-------------------------------------------------------------------

With best regards,

                     Takanori Kanazawa

***************************************************************
                   Takanori Kanazawa, Ph.D.
                   E-mail : [email-masked]
                   Phone  : +81-797-74-2597
                   FAX    : +81-797-74-2598

                   Takarazuka Research Institute / CAMM
                   Novartis Pharma K.K.
                   10-66 Miyuki-cho, Takarazuka, Hyogo 665
                   JAPAN
***************************************************************