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breaking_changes.md

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  • The number and number4 templated stuff has been removed from the code.

  • As a result, most (if not all) of the this-> occurrences are not necessary any more.

  • On the CPU side, number is now set at compile time to either float or double.

  • On the CUDA side, number has become c_number and number4 has become c_number4. Both are set at compile time to float and float4 or double and LR_double4. If the CUDA backend is compiled in float precision (i.e. if -DCUDA_DOUBLE=OFF, default behaviour), the mixed precision is available and can be enabled by putting in the input file backend_precision=mixed. The backend_precision option is otherwise not used any more.

  • For plugins: before this change, one had to write two entry points, one for each precision (float and double). Now only one is required, which should be called make_MyPlugin, where MyPlugin is the name of the plugin class (and file).

  • BaseParticle: int_centers is now a std::vector and hence it does not have to be allocated but resize'd. The number of interaction centers can be accessed with the N_int_centers() helper method.

  • SimBackend's _N and ConfigInfo's N members have been removed. Both classes now possess a N() method that directly returns the number of particles.

  • ConfigInfo's particles is now a method that returns a reference to the particles' std::vector.

  • ConfigInfo's instance returns a std::shared_ptr rather than a bare pointer.

  • The RELEASE macro defined in src/defs.h must match the current git tag or it won't be possible to commit changes to the repository. This is to make sure that the version printed by the executables is (at least decently) up to date.

  • The functions that used to initialise, clean and print the input_file structure have now been included as methods in the class itself.

  • The init methods of the ObservableOutput and BaseObservable classes do not require any parameter. This is in contrast with previous versions in which both methods required a ConfigInfo object.

Interactions

  • The signature of all the pair_interaction* methods have been changed. The parameter list went from (BaseParticle *, BaseParticle *, LR_vector *, bool) to (BaseParticle *, BaseParticle *, bool, bool), where the third parameter (compute_r) tells the method whether r should be computed from scratch (the default). If not, the method should use the new _computed_r member, which should be set from the methods called with compute_r==true, or can be set externally through the set_computed_r() method. Nota Bene: many calls to the pair_interaction_* methods used NULL as a parameter. Since the latter is (on most systems) equal to zero, the compiler will happily cast it to false without complaining. This might give (and have given) raise to hard-to-find bugs.
  • The need for the curiously-recurring template pattern has been replaced by a vector of std::function. The ADD_INTERACTION_TO_MAP(index, method) macro can be used to fill the interaction map with a method of the same class, however other classes' methods can also be added by using a more complicated (lambda-based) syntax. Thanks for this change there is no need for each interaction to also redefine the pair_interaction_term method. As a result, the _pair_interaction_term_wrapper method has been removed. This change breaks compilation of older interactions.