Python API reference

Note

This is the documentation for metatensor-core version 0.2.0.dev47+git.55d4ded. For other versions, look in the following pages:

Version 0.1

0.1.11

https://docs.metatensor.org//metatensor-core-v0.1.11/core/reference/python/index.html

0.1.10

https://docs.metatensor.org//metatensor-core-v0.1.10/core/reference/python/index.html

0.1.9

https://docs.metatensor.org//metatensor-core-v0.1.9/core/reference/python/index.html

0.1.7

https://docs.metatensor.org//metatensor-core-v0.1.7/core/reference/python/index.html

0.1.6

https://docs.metatensor.org//metatensor-core-v0.1.6/core/reference/python/index.html

0.1.5

https://docs.metatensor.org//metatensor-core-v0.1.5/core/reference/python/index.html

0.1.4

https://docs.metatensor.org//metatensor-core-v0.1.4/core/reference/python/index.html

0.1.3

https://docs.metatensor.org//metatensor-core-v0.1.3/core/reference/python/index.html

Most users will find the Python interface to metatensor to be the most convenient to use. This interface is built on top of the C API, and can be installed independently. The functions and classes provided in metatensor can be grouped as follows:

• TensorMap
• TensorBlock
• Labels
• Serialization

Some modules are part of the advanced API that most users should not need to interact with:

• Data arrays
• Miscellaneous

The Python interface also provides multiple operations, including mathematical, logical, and other utility functions that can applied on these core objects. These are part of a separate python package (metatensor-operations, installed by default when installing metatensor); and documented in the corresponding section.