Usage and examples

sphericart is a multi-language library, providing similar interfaces across different programming languages and adapting to the typical usage patterns for the language. In general, the calculators must be initialized first, to allocate buffers and initialize constant factors that are used in the calculation. Then, spherical harmonics and their derivatives can be computed for an array of 3D Cartesian points.

This section provides a series of examples, which are also part of the source code repository and are tested for consistency. In each language, the following examples compute Cartesian spherical harmonics for a random array of Cartesian coordinates, using either 32-bit or 64-bit floating-point arithmetics, and they evaluate the mean relative error between the two precision levels.

• C++
• C
• CUDA C++
• Python
• PyTorch
• JAX

Although comprehensive Julia examples are not fully available yet, basic usage is illustrated here.