Python API reference

Most users will find the Python interface to featomic 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 featomic can be grouped in three main groups:

• Available system implementation
• Available Calculators
• Miscellaneous
• Local environments
• Atomic density
• Basis functions
• Splined radial integrals
• Clebsch-Gordan products