[4194] in Software_Announce
Psi4 on Athena updated to release 1.0
daemon@ATHENA.MIT.EDU (Alex T Prengel)
Fri Sep 9 18:36:45 2016
From: Alex T Prengel <alexp@mit.edu>
To: software-announce@mit.edu
Cc: alexp@mit.edu, ccummins@mit.edu
Date: Fri, 09 Sep 2016 18:36:42 -0400
I've updated PSi4 on Athena to release 1.0. Psi4 is a suite of ab-initio
quantum molecular chemistry applications. Links to documentation are at
http://ist.mit.edu/node/1408#Psi4
From my message to users:
Psi4 on Athena has been updated to version 1.0. To run it:
add psi4
psi4 <options> <inputfile> <outputfile>
To run the prior 0.3.402 release now, add a "-ver 0.3.402" command line
option to the launch command command, i.e.:
add psi4
psi4 -ver 0.3.402 <options> <inputfile> <outputfile>
Release notes are at http://www.psicode.org/downloads.html
Alex
