thanks for the package we really enjoy using.
when running install from a 8.2 xml file I got errors. the problem actually lives in cp2k. the self_energy keyword has an emty name tag in the default keyword, it does have an alias defined which is self_energy. Maybe the pycp2k should somehow provide a usefully error message or a fix.
tx
thanks for the package we really enjoy using.
when running install from a 8.2 xml file I got errors. the problem actually lives in cp2k. the self_energy keyword has an emty name tag in the default keyword, it does have an alias defined which is self_energy. Maybe the pycp2k should somehow provide a usefully error message or a fix.
tx