Re: [cclib-devel] Jaguar parser errors

[Karol L. <kar...@kn...>]

OK, I added explicit passes to the Jaguar tests that were not working. Turns 
out all of them were due to the test files being incomplete. I wrote about 
them in previous mails.

The last one, the test for moenergies for Jaguar 6.5, was failing becuase not 
all the virtual orbitals are printed for dvb_sp_un. In order to print all of 
them, "ipvirt=-1" needs to be in the input file (as in the input files for 
the other Jaguar versions).

Karol

-- 
written by Karol Langner
Wed Feb 21 13:03:36 CET 2007