Miscellaneous

Version number

std::string metatensor_torch::version()

Get the runtime version of metatensor-torch as a string.

METATENSOR_TORCH_VERSION

Macro containing the compile-time version of metatensor-torch, as a string

METATENSOR_TORCH_VERSION_MAJOR

Macro containing the compile-time major version number of metatensor-torch, as an integer

METATENSOR_TORCH_VERSION_MINOR

Macro containing the compile-time minor version number of metatensor-torch, as an integer

METATENSOR_TORCH_VERSION_PATCH

Macro containing the compile-time patch version number of metatensor-torch, as an integer

Modules containing metatensor data

class Module : public torch::jit::Module

Replacement class for torch::jit::Module to be used when the module contains metatensor data. This class overrides the behavior of to() to also move metatensor data to the correct dtype and device.

Public Functions

inline Module(torch::jit::Module module)

Construct a metatensor_torch::Module wrapping the given torch::jit::Module.

void to(at::Device device, at::ScalarType dtype, bool non_blocking = false)

Move all the data in the module to the given device and dtype

void to(at::ScalarType dtype, bool non_blocking = false)

Move all the data in the module to the given dtype

void to(at::Device device, bool non_blocking = false)

Move all the data in the module to the given device

TensorMap Serialization

void metatensor_torch::save(const std::string &path, TensorMap tensor)

Save the given TensorMap to a file at path

torch::Tensor metatensor_torch::save_buffer(TensorMap tensor)

Save the given TensorMap to an in-memory buffer (represented as a torch::Tensor of bytes)

TensorMap metatensor_torch::load(const std::string &path)

Load a previously saved TensorMap from the given path.

TensorMap metatensor_torch::load_buffer(torch::Tensor buffer)

Load a previously saved TensorMap from the given in-memory buffer (represented as a torch::Tensor of bytes)

TensorBlock Serialization

void metatensor_torch::save(const std::string &path, TensorBlock block)

Save the given TensorBlock to a file at path

torch::Tensor metatensor_torch::save_buffer(TensorBlock block)

Save the given TensorBlock to an in-memory buffer (represented as a torch::Tensor of bytes)

TensorBlock metatensor_torch::load_block(const std::string &path)

Load a previously saved TensorBlock from the given path.

TensorBlock metatensor_torch::load_block_buffer(torch::Tensor buffer)

Load a previously saved TensorBlock from the given in-memory buffer (represented as a torch::Tensor of bytes)

Labels Serialization

void metatensor_torch::save(const std::string &path, Labels labels)

Save the given Labels to a file at path

torch::Tensor metatensor_torch::save_buffer(Labels labels)

Save the given Labels to an in-memory buffer (represented as a torch::Tensor of bytes)

Labels metatensor_torch::load_labels(const std::string &path)

Load previously saved Labels from the given path.

Labels metatensor_torch::load_labels_buffer(torch::Tensor buffer)

Load previously saved Labels from the given in-memory buffer (represented as a torch::Tensor of bytes)