Vasp.xc_defaults, key=lambda k: len(vasp.Vasp.xc_defaults[k]), reverse=True) for ex in xc_keys: pd = {k: self.parameters.get(k, None) for k in vasp.Vasp.xc_defaults[ex]} if pd == vasp.Vasp.xc_defaults[ex]: self.parameters['xc'] = ex break Vasp.read_potcar args = (...
Vasp.xc_defaults, key=lambda k: len(vasp.Vasp.xc_defaults[k]), reverse=True) for ex in xc_keys: pd = {k: self.parameters.get(k, None) for k in vasp.Vasp.xc_defaults[ex]} if pd == vasp.Vasp.xc_defaults[ex]: self.parameters['xc'] = ex break Vasp.read_potcar args = (...
xc_keys = sorted(vasp.Vasp.xc_defaults, key=lambda k: len(vasp.Vasp.xc_defaults[k]), reverse=True) for ex in xc_keys: pd = {k: self.parameters.get(k, None) for k in vasp.Vasp.xc_defaults[ex]} if pd == vasp.Vasp.xc_defaults[ex]: self.parameters['xc'] = ex break # rec...
The kernel for the parallel FFT was initially written by D. White and M. Payne, but it has been rewritten from scratch around July 1998. Several parts of VASP were co-developed by A. Eichler, and other members of the group in Vienna. David Hobbs worked on the non collinear version. ...
Vasp.xc_defaults, key=lambda k: len(vasp.Vasp.xc_defaults[k]), reverse=True) for ex in xc_keys: pd = {k: self.parameters.get(k, None) for k in vasp.Vasp.xc_defaults[ex]} if pd == vasp.Vasp.xc_defaults[ex]: self.parameters['xc'] = ex break Vasp.read_potcar args = (...