Python BLJCluster.get_compare_exact примеры использования

Пример #1

Файл: maxneib_blj.py Проект: spraharsh/pele

 def get_compare_exact(self, **kwargs):
     if self.pot.periodic:
         permlist = self.get_permlist()
         boxlengths = np.ones(3) * self.pot.boxl
         measure = MeasurePeriodic(boxlengths, permlist)
         return ExactMatchPeriodic(measure, accuracy=.1)
     else:
         return BLJCluster.get_compare_exact(self, **kwargs)

Пример #2

Файл: maxneib_blj.py Проект: Mahdisadjadi/pele

 def get_compare_exact(self, **kwargs):
     if self.pot.periodic:
         permlist = self.get_permlist()
         boxlengths = np.ones(3) * self.pot.boxl
         measure = MeasurePeriodic(boxlengths, permlist)
         return ExactMatchPeriodic(measure, accuracy=.1)
     else:
         return BLJCluster.get_compare_exact(self, **kwargs)