Removing comment strings from hsd

[bhourahine]

There is a problem reading the dftb_in.hsd template in restart_filemaker.py when there are comments in certain hsd blocks. For example:

Geometry = GenFormat {
<<< my_file # this is a comment
}

As the script will then try to read the file "my_file # this is a comment" instead of "my_file". It's not clear to me whether this is best solved in the hsd library or the script.

[korintje]

Thank you for your report.

I have confirmed that placing the comment in a specific location in dftb_in.hsd causes the issue you pointed out.
Just calling hsd.load(HSD_FILENAME) like the following short script causes the error.

import hsd
hsdinput = hsd.load("dftb_in.hsd")

Therefore, I suppose there is nothing I can do on the script side so far.
I think we need to fix the hsd library.

[bhourahine]

I've raised an issue on the library side at:
dftbplus/hsd-python#27