mindchemistry.e3.o3.FullTensorProduct

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class mindchemistry.e3.o3.FullTensorProduct(irreps_in1, irreps_in2, filter_ir_out=None, ncon_dtype=float32, **kwargs)[source]

Full tensor product between two irreps.

Equivalent to TensorProduct with instructions='full'. For details, see mindchemistry.e3.o3.TensorProduct.

Parameters

  • irreps_in1 (Union[str, Irrep, Irreps]) – Irreps for the first input.

  • irreps_in2 (Union[str, Irrep, Irreps]) – Irreps for the second input.

  • filter_ir_out (Union[str, Irrep, Irreps, None]) – Filter to select only specific Irrep of the output. Default: None.

  • irrep_norm (str) – {'component', 'norm'}, the assumed normalization of the input and output representations. Default: 'component'. Default: 'component'.

  • path_norm (str) – {'element', 'path'}, the normalization method of path weights. Default: 'element'.

  • weight_init (str) – {'zeros', 'ones', 'truncatedNormal', 'normal', 'uniform', 'he_uniform', 'he_normal', 'xavier_uniform'}, the initial method of weights. Default: 'normal'.

  • ncon_dtype (mindspore.dtype) – The type of input tensors of ncon computation module. Default: mindspore.float32 .

Supported Platforms:

Ascend

Examples

>>> from mindchemistry.e3.o3 import FullTensorProduct
>>> FullTensorProduct('2x1o+4x0o', '1x1o+3x0e')
TensorProduct [full] (2x1o+4x0o x 1x1o+3x0e -> 2x0e+12x0o+6x1o+2x1e+4x1e+2x2e)