Defining systems ================ There are two ways you can define systems to pass to :c:func:`rascal_calculator_compute`: the easy way is to use :c:func:`rascal_basic_systems_read` to read all systems defined in a file, and run the calculation on all these systems. The more complex but also more flexible way is to create a :c:struct:`rascal_system_t` manually, implementing all required functions; and then passing one or more systems to :c:func:`rascal_calculator_compute`. .. doxygenstruct:: rascal_system_t :members: .. doxygenstruct:: rascal_pair_t :members: --------------------------------------------------------------------- .. doxygenfunction:: rascal_basic_systems_read .. doxygenfunction:: rascal_basic_systems_free