C API reference

Featomic 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.

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

find_package(featomic)

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

# Link to featomic, this makes the header accessible
target_link_libraries(MyExecutable featomic)

The functions and types provided in featomic.h can be grouped in three main groups:

• Defining systems
• Dealing with calculators
• Miscellaneous