def todict(self):
d = MolecularDynamics.todict(self)
d.update({
'temperature': self.temp,
'friction': self.fr,
'fix-cm': self.fixcm
})
return d
def todict(self):
d = MolecularDynamics.todict(self)
d.update({
'temperature_K': self.temp / units.kB,
'friction': self.fr,
'fixcm': self.fix_com
})
return d
def todict(self):
d = MolecularDynamics.todict(self)
d.update({'temperature': self.temp,
'friction': self.fr,
'fix-cm': self.fixcm})
return d
