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Introduce an algorithm class

Merged Micael Oliveira requested to merge algorithms into develop

Description

Several changes related to the multisystem propagators:

  • some cleaning
  • add an algorithm class that implements the concept of algorithms as lists of algorithmic operations.
  • use the new classes for the propagators
  • move the description of the algorithmic operations specific to a given propagator to the corresponding module

The long term idea is that each system should have an algorithm that is executed during the calculation. This might be something different than a TD propagator, like an energy minimization. Before we get there, more changes are required to the framework, but this will be done over several merge requests.

Contributes to #376 (closed)

News snippet

Introduce an algorithm class.

Checklist

  • I have checked that my code follows the Octopus coding standards
  • I have added tests for all the new features added in this request.
Edited by Micael Oliveira

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  • Micael Oliveira added 4 commits

    added 4 commits

    • c2d3eda4 - Add new algorithm and algorithmic_step classes.
    • a5c6acfa - Using the new algorithm class in the propagator.
    • 7f32dc35 - Move algorithmic operations that are specific to certain propagators to the corresponding module.
    • b8592731 - Improve description of several algorithmic operations.

    Compare with previous version

  • Micael Oliveira added 6 commits

    added 6 commits

    • 0e711fbe - Deleted the store_current_status defered method from the system class. Either...
    • a13acee8 - Delete ununsed SYNC propagator operation.
    • 676cc6c7 - Add new algorithm and algorithmic_step classes.
    • 5e2f751b - Using the new algorithm class in the propagator.
    • e49abfa1 - Move algorithmic operations that are specific to certain propagators to the corresponding module.
    • 7280707f - Improve description of several algorithmic operations.

    Compare with previous version

  • Micael Oliveira changed the description

    changed the description

  • Heiko Appel
  • Heiko Appel
  • Heiko Appel
  • Micael Oliveira added 4 commits

    added 4 commits

    • ea46e8b2 - Add new algorithm and algorithmic_step classes.
    • 1915977c - Using the new algorithm class in the propagator.
    • 541437f1 - Move algorithmic operations that are specific to certain propagators to the corresponding module.
    • 79672c21 - Improve description of several algorithmic operations.

    Compare with previous version

  • Heiko Appel resolved all threads

    resolved all threads

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