Introduction

This section of the manual covers more technical details useful to a developer.

Apps

The main program does very few things: intializes the paralllel environment, loads a subprogram (App) using an AppFactory, and launches it. Currently, supported apps are:

• PhononTransportApp
• ElectronWannierTransportApp
• ElectronEPATransportApp
• PhononDosApp
• ElectronWannierDosApp
• ElectronFourierDosApp
• PhononBandsApp
• ElectronWannierBandsApp
• ElectronFourierBandsApp
• ElectronPolarizationApp

Code schematics

To have a good overview of the main Phoebe classes and how these work, it's easier to start with a graphical sketch of the PhononTransportApp and its code workflow.

We refer to the class documentation for a detailed overview of all the classes.

Code formatting

Use the camelCase notation for variable definitions. Classes should start with a capital letter. The code should be formatted according to the clang-format style. Classes and files should be documented using a Doxygen-compatible style, in order to render nicely in this documentation.

Name variables with sensible and clear names or the code can easily become a mess.

Use two spaces for indentation. We are typically using CLion to format the source text, using its default code style.

Debugging

Valgrind is a great programming tool for memory debugging, memory leak detection and profiling. To launch it with phoebe, an example of syntax is:

valgrind --track-origins=yes --leak-check=full ./build/phoebe -in phoebe.in > phoebe.out &> valgrind.out

This command launches the default valgrind tool, which is, "memcheck", which helps finding bugs in the code.

Tip for running valgrind when the code is compiled with OpenMPI: Valgrind detects some false positive memory leaks, that originate from the MPI library and that you shouldn't worry about. OpenMPI provides a file "openmpi-valgrind.supp", that can be used to suppress these wrong memory leaks messages. The syntax is

valgrind --track-origins=yes --leak-check=full --suppressions=/usr/share/openmpi/openmpi-valgrind.supp ./build/phoebe -in phoebe.in > phoebe.out &> valgrind.out

The "suppressions" flag is only relevant if you are compiling the code with MPI, and the path to the file "openmpi-valgrind.supp" should be modified to match the path on your computer.