to#

metatensor.to(tensor: TensorMap, backend: str | None = None, dtype: dtype | None = None, device: device | str | None = None) → TensorMap[source]#

Converts a TensorMap to a different backend. Currently only supports converting to and from numpy- or torch-based tensors.

Parameters:

  • tensor (TensorMap) – input TensorMap.

  • backend (str | None) – str indicating the backend to convert to. Currently only supports "numpy" or "torch". If not provided, the backend of the input tensor will be used.

  • dtype (dtype | None) – the dtype of the data in the resulting TensorMap. This is passed directly to numpy/torch, so can be specified as a variety of objects, such as (but not limited to) numpy.dtype, torch.dtype, str, or type.

  • device (device | str | None) – only applicable if backend is "torch". The device on which the torch.Tensor objects of the resulting TensorMap should be stored. Can be specified as a variety of objects such as (but not limited to) torch.device or str.

Returns:

a TensorMap converted to the specified backend, data type, and/or device.

Return type:

TensorMap

metatensor.block_to(block: TensorBlock, backend: str | None = None, dtype: dtype | None = None, device: device | str | None = None) → TensorBlock[source]#

Converts a TensorBlock to a different backend. Currently only supports converting to and from numpy- or torch-based tensors.

Parameters:

  • block (TensorBlock) – input TensorBlock.

  • backend (str | None) – str, the backend to convert to. Currently only supports "numpy" or "torch". If not specified, the backend is set to match the current backend of the input block.

  • dtype (dtype | None) – the dtype of the data in the resulting TensorBlock. This is passed directly to numpy/torch, so can be specified as a variety of objects, such as (but not limited to) numpy.dtype, torch.dtype, str, or type.

  • device (device | str | None) – only applicable if backend is "torch". The device on which the torch.Tensor of the resulting TensorBlock should be stored. Can be specified as a variety of objects such as (but not limited to) torch.device or str.

Returns:

a TensorBlock converted to the specified backend, data type, and/or device.

Return type:

TensorBlock