def __init__(self, model_file, load_prefix='load', default_tf_graph=False):
DeepTensor.__init__(self,
model_file,
'dipole',
3,
load_prefix=load_prefix,
default_tf_graph=default_tf_graph)
def __init__(self,
model_file,
default_tf_graph = False) :
DeepTensor.__init__(self, model_file, 'wfc', 12, default_tf_graph = default_tf_graph)
def __init__(self, model_file):
DeepTensor.__init__(self, model_file, 'wfc', 12)
def __init__(self,
model_file) :
DeepTensor.__init__(self, model_file, 'polar', 9)
def __init__(self, model_file):
DeepTensor.__init__(self, model_file, 'dipole', 3)
def eval(self, coords, cells, atom_types):
return DeepTensor.eval(self, coords, cells, atom_types, atomic=False)