Coverage for gpaw/wavefunctions/mode.py: 93%

1def create_wave_function_mode(name, **kwargs): 

2 if name not in ['fd', 'pw', 'lcao']: 

3 raise ValueError('Unknown wave function mode: ' + name) 

4 

5 from gpaw.wavefunctions.fd import FD 

6 from gpaw import PW 

7 from gpaw.wavefunctions.lcao import LCAO 

8 return {'fd': FD, 'pw': PW, 'lcao': LCAO}[name](**kwargs) 

9 

10 

11class Mode: 

12 def __init__(self, force_complex_dtype=False): 

13 self.force_complex_dtype = force_complex_dtype 

14 

15 def todict(self): 

16 dct = {'name': self.name} 

17 if self.force_complex_dtype: 

18 dct['force_complex_dtype'] = True 

19 return dct