pam: simplified output name if "inp" and "mol" are the same

[reut...@gmail.com]

Hi,

I spot this change in behavior, which in our case led to confusion. We use:

pam … > $inp_file_stripped'.out'

already for the pure job output, while the results were written to inp_file_stripped + '_' + mol_file_stripped according to `pam`.

I’m uncertain what would be the best option. We could rename our output of cause to append '.job' or alike. I don’t think, that an additional option to bring back the old behavior would be useful, but maybe an option to write the output to a given filename. `pam` on its own will create the output filename according to set "inp", "mol", "pcmFname" and "pot". And having an option to force `pam` to write to a given filename would be favorably.

-- Reuti

NB: A created filename "abc_def" in `pam` could be read as "inp" + "mol", or "inp" + "pot" if "inp" and "mol" are the same and "pot" given.

[reut...@gmail.com]

More precise: not the output of `pam`, but the output of the started application like `dirac.x`.