C++ API reference

Rascaline offers a C++ API, built on top of the C API. You can the provided classes and functions in your own code by installing the corresponding shared library and header, and then including rascaline.hpp and linking with -lrascaline. Alternatively, we provide a cmake package config file, allowing you to do use rascaline like this (after installation):

find_package(rascaline)

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

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

The functions and types provided in rascaline.hpp can be grouped in three main groups:

• Defining systems
• Dealing with calculators
• Miscellaneous