C API reference

metatensor offers a C API that can be called from any language able to call C functions (in particular, this includes Python, Fortran with iso_c_env, C++, and most languages used nowadays). Convenient wrappers of the C API are also provided for Python users.

The C API is implemented in Rust. You can use these functions in your own code by installing the corresponding shared library and header, and then including metatensor.h and linking with -lmetatensor. Alternatively, we provide a cmake package config file, allowing you to do use metatensor like this (after installation):

find_package(metatensor)

# add executables/libraries
add_executable(MyExecutable my_sources.c)
add_library(MyLibrary my_sources.c)

# Links metatensor with MyExecutable, this makes the header accessible
target_link_libraries(MyExecutable metatensor)

# alternatively, use the static build of metatensor
# target_link_libraries(MyExecutable metatensor::static)

The functions and types provided in metatensor.h can be grouped in five main groups:

• TensorMap
• Labels
• TensorBlock
• Data arrays
• Miscelaneous