def __call__(self, vector):
conf = self.universe.configuration()
r = ParticleProperties.ParticleScalar(self.universe)
l = deformation(conf.array, vector.array, self.pairs,
None, r.array, self.cutoff, self.fc_length,
self.factor, self.normalize, 0, self.version)
return r
def __call__(self, vector):
conf = self.universe.configuration()
r = ParticleProperties.ParticleScalar(self.universe)
l = deformation(conf.array, vector.array, self.pairs, None, r.array,
self.cutoff, self.fc_length, self.factor,
self.normalize, 0, self.version)
return r
def __call__(self, vector, gradients = None):
conf = self.universe.configuration()
g = None
if gradients is not None:
if ParticleProperties.isParticleProperty(gradients):
g = gradients
elif isinstance(gradients, N.array_type):
g = ParticleProperties.ParticleVector(self.universe, gradients)
elif gradients:
g = ParticleProperties.ParticleVector(self.universe)
if g is None:
g_array = None
else:
g_array = g.array
l = deformation(conf.array, vector.array, self.pairs, g_array, None,
self.cutoff, self.fc_length, self.factor,
0, 1, self.version)
if g is None:
return l
else:
return l, g
def __call__(self, vector, gradients=None):
conf = self.universe.configuration()
g = None
if gradients is not None:
if ParticleProperties.isParticleProperty(gradients):
g = gradients
elif type(gradients) == Numeric.arraytype:
g = ParticleProperties.ParticleVector(self.universe, gradients)
elif gradients:
g = ParticleProperties.ParticleVector(self.universe)
if g is None:
g_array = None
else:
g_array = g.array
l = deformation(conf.array, vector.array, self.pairs, g_array, None,
self.cutoff, self.fc_length, self.factor, 0, 1,
self.version)
if g is None:
return l
else:
return l, g