procar.py suggestion

[mwistey]

Thanks for the python interface!

In procar.py, I would suggest replacing this: regex = re.compile( 'k-point\s+(\d+)\s*:\s+([- ][01].\d{8})([- ][01].\d{8})([- ][01].\d{8})\s+weight = ([01].\d+)' )
...with this... regex = re.compile( 'k-point\s+(\d+)\s*:\s+([- ][01].\d+)([- ][01].\d+)([- ][01].\d+)\s+weight = (-[01].\d+)' )

I've run into one modified version of VASP that has an extra space after the "weight =". This way it's a little less fragile.

• Mark

[bjmorgan]

Thanks for the suggestion. Can you provide an example of the modified PROCAR format you would like to parse?