FchkDipoleNumDerivatives

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Holder class for numerical derivatives coming out of an fchk file. Gaussian returns first and second derivatives

Methods and Properties

 

__init__(self, derivs, num_atoms=None, num_modes=None, reader=None):

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@property
num_modes(self):

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@property
shape(self):

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@property
first_derivatives(self):

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@property
second_derivatives(self):

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