#43 "TRD" directory needed, but unnecessary

[Jellby]

When doing a transition density analysis from molcas files, I need to specify all the TRD2_a_b files with the matrices. Even if have the files in the current directory (ana_files=['TRD2_002_001', 'TRD2_003_001']), the program still wants a directory called TRD. If I create it empty, it works fine and I can remove it after. This looks pretty unnecessary.

[Felix Plasser]

Hi, does it work if you just specify "." as the directory with the TRD files?

In any case, I do not really like the TRD solution. And I think I am finally close to finishing the integrated analysis in Molcas.

[Jellby]

It works without any directory, I just need to have a "TRD" directory, even if it's empty. That's due to line 1070 in lib/file_parser.py:

if not os.path.exists('TRD'):

but the TRD2_a_b files could be located elsewhere (and they are found if specified correctly).

[Felix Plasser]

You are right, this error message does not make sense in this form. I took it out.