From d3f012@gator.pnl.gov Fri Aug 28 19:48:50 1992
Date: Fri, 28 Aug 92 16:43:24 PDT
From: d3f012@gator.pnl.gov
Subject: Argus 1.1
To: chemistry@ccl.net
Status: RO



Argus 1.1 available
*******************


I've made some minor bug fixes and released Argus v 1.1

The new tar file can be obtained by anonymous ftp from
pnlg.pnl.gov in the argus directory.

The UserManual has a couple of minor changes.



Upgrade policy 
**************

I would like to handle upgrades as follows:

Roughly once every 2 months I will distribute a minor release
that will contain bug fixes and maybe some minor enhancements.  All
previous versions will be removed from the anonymous ftp directory
when a new version is created.

If a serious bug appears that affects most users, I'll
make the fix available more quickly.


I've included below the Changes file in v 1.1



*********************** Changes 1.1 ****************************
8/28/92

Changes in Argus v1.1
*********************


1.  Internal default SAVESCF set to TRUE.
    Bug occurred in property driver when data deck did not
    have "savescf" option set in Control block.  You do not
    have to have "savescf" in every data deck now.

    error message WAS:

    ** FATAL ERROR ** SCFRead : reading rank returned stat 0
    should be 4  errno = 0
    Exiting Program



2.  Bug occurred on Cray YMP for some molecules when checking
    the trace of density*overlap against the number of electrons.
    My tolerance was too tight for single precision on Cray.
    Reset tolerance.
 
    error message WAS something like:
 
    ** FATAL ERROR ** MullCharge : Trace(PS) 240.000000 != number of
    electrons 240
    Exiting Program


****************************************************************




Thanks for your comments.

Mark Thompson
Pacific Northwest Laboratory
PO Box 999, Mail Stop K1-90
Richland, WA.  99352


email   :   d3f012@pnlg.pnl.gov
voice   :   509-375-6734
FAX     :   509-375-6631