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Framework and Executable Changes (Code Cleanup) #13

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merged 7 commits into from
Apr 19, 2024

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DavidJoy8
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@DavidJoy8 DavidJoy8 commented Apr 16, 2024

This contains changes to address Issue #1 plus some related framework changes:

  • Removed END_TIME. This made sense for the summer work, but is a flawed concept for general use. To specify dt, users now specify the number of timesteps per unit of simulation time they wish to use. Users now specify dt directly.
  • Added methods for running until a certain simulation time or number of timesteps. This comes in handy for doing the free energy.
  • Removed prestep and poststep. Similar to above, these were a relic of a previous iteration of the framework. Now everything is done during step.
  • Removed finalize. With the framework no longer caring about the end time, this method no longer makes sense. Users are free to call an output method at any time.
  • Merged the PFHub1aBenchmark and PFHub1aPeriodic executables, as requested. A command line argument is now used to distinguish which one to run.
  • Added command line arguments for dt and end time to the Grid Timer/Performance Runs executable.

Things left for other PRs/future work:

  • These changes restrict dt to be of the form 1/integer. We could consider how to generalize this to allow things like dt=.4 or even allow changing dt during a run.
  • With the addition of variable output times, the grid output filenames are now ambiguous. This will be addressed in my PR for Use new Cabana grid output #10 since that contains a partial rework of file saving.

Closes #1

@DavidJoy8 DavidJoy8 marked this pull request as draft April 16, 2024 14:17
@DavidJoy8 DavidJoy8 marked this pull request as ready for review April 16, 2024 18:49
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@DavidJoy8 DavidJoy8 requested a review from streeve April 17, 2024 18:58
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@stvdwtt stvdwtt self-requested a review April 19, 2024 20:05
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Looks good to me!

@streeve streeve merged commit 7c689c5 into ORNL:main Apr 19, 2024
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@DavidJoy8 DavidJoy8 deleted the cleanup branch April 24, 2024 15:42
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Code clean up
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