Ejemplo n.º 1
0
 def GetPressure(self):
     """Calculate instantaneous kinetic pressure [Pa] of system."""
     gradient.GetPressure(self)
Ejemplo n.º 2
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 def GetPressure(self):
     """Calculate instantaneous kinetic pressure [Pa] of system."""
     self.virial = gradient.GetVirial(self.g_total, self.atoms)
     self.pressure = gradient.GetPressure(self.n_atoms, self.temperature,
                                          self.virial, self.volume)