Re: Supersymmetry and TypeIndex


[ Molcas user's WWWBoard ]

Posted by Per-Ake.Malmqvist on September 03, 2012 at 17:44:45:

In Reply to: Supersymmetry and TypeIndex posted by Leon Freitag on August 23, 2012 at 14:15:34:

Dear Anyone who uses both Typeindex and Supersymmetry: I think everyone hates supersymmetry
in principle, but sometimes have to use it. As remarked by Leon and by Valera, one would
like the supersymmetry arrays to change with orbital ordering, when type index is in use,
which was not earlier the case.

I take it that this is to be regarded a bug, and so I have made a patch for the new 7.8
distribution with this effect.

Take care: It means a change in functionality as compared to earlier versions, which we
normally do not like -- but regard it as a bug fix.

Best,



Follow Ups:



Post a Followup

Name:
E-Mail:

Subject:

if B is 1s22s22p1, what is Li?

Passfield:

Comments:


[ Follow Ups ] [ Post Followup ] [ Molcas user's WWWBoard ]