search

pekkosk / hotbit

ASE density-functional tight-binding calculator
GNU General Public License v2.0
63 stars 35 forks source link

Small bug in atoms.py #7

Closed andersx closed 7 years ago

andersx commented 7 years ago

Offending line: https://github.com/pekkosk/hotbit/blob/master/hotbit/parametrization/atom.py#L785

Changing it to self.comment='general r0=%.3f s=%.3f' % (self.r0, self.s)

Seems to fix it. Cheers!

pekkosk commented 7 years ago

fixed