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[PICMI] Add ionization model configuration support #5007

Merged
merged 20 commits into from
Sep 30, 2024
Merged

[PICMI] Add ionization model configuration support #5007

merged 20 commits into from
Sep 30, 2024

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BrianMarre
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@BrianMarre BrianMarre commented Jul 25, 2024 •
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adds the ability to configure ionization model interactions in the PIConGPU-PICMI interface.

replaces PR #4985

  • update documentation
  • add LWFA PICMI script as user example
  • add Test for Ionization configuration
  • verify correct rendering of LWFA with Richard

also fixes a bug in the initialization configuration of the boundElectrons attribute, noticed in the refactoring of the SetBoundElectrons Operation, renamed in this PR to SetChargeState.

@BrianMarre BrianMarre marked this pull request as draft July 25, 2024 18:41
@BrianMarre BrianMarre force-pushed the topic-addIonizerSupport branch 6 times, most recently from e96ac20 to 0b8d2c7 Compare July 29, 2024 08:46
@BrianMarre BrianMarre marked this pull request as ready for review July 29, 2024 08:48
@BrianMarre BrianMarre mentioned this pull request Jul 29, 2024
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@psychocoderHPC psychocoderHPC added this to the 0.8.0 / Next stable milestone Jul 29, 2024
@psychocoderHPC psychocoderHPC added the PICMI pypicongpu and picmi related label Jul 29, 2024
@BrianMarre BrianMarre force-pushed the topic-addIonizerSupport branch 2 times, most recently from 26ef4ab to 1702c17 Compare July 29, 2024 12:42
chillenzer
chillenzer reviewed Jul 30, 2024
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Hi, just a first batch. Not really touched on the functional code yet.

docs/source/usage/picmi/intro.rst Show resolved Hide resolved
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lib/python/picongpu/picmi/interaction/__init__.py Outdated Show resolved Hide resolved
lib/python/picongpu/picmi/interaction/ionization/__init__.py Show resolved Hide resolved
lib/python/picongpu/picmi/interaction/ionization/electroniccollisonalequilibrium/thomasfermi.py Outdated Show resolved Hide resolved
lib/python/picongpu/picmi/predefinedparticletypeproperties.py Outdated Show resolved Hide resolved
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chillenzer
chillenzer reviewed Jul 30, 2024
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Okay. Calling it a day for today. Here's another batch.

General comment: Assertions are not a safe way to check integrity of the data in functional code because they can be deactivated. Such checks should throw other appropriate (potentially custom) forms of exceptions.

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I reviewed the contents for PICMI collisional ionization.

mafshari64
mafshari64 reviewed Jul 31, 2024
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I reviewed the content

mafshari64
mafshari64 reviewed Jul 31, 2024
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I reviewed the content.

@BrianMarre BrianMarre force-pushed the topic-addIonizerSupport branch 2 times, most recently from 1bbfe4b to 78d1c61 Compare August 3, 2024 17:45
@BrianMarre BrianMarre mentioned this pull request Aug 3, 2024
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mafshari64 and others added 19 commits September 27, 2024 11:30
@mafshari64 @BrianMarre
add PICMI ionization configuration schema and templates
e83ffb7 
add schemas and templates for the configuration ioniaztion through PICMI
@BrianMarre
rework PICMI ionization templates and schemas
e3ee972 
refactor of the PICMI ionization schemas and templates
@BrianMarre
PyPIConGPU ionization configuration interface
3b3872a 
refactors the Ionizer PyPIConGPU interface to allow almost complete configuration of ionization in PIConGPU through PyPIConGPU
@BrianMarre
fixing PyPIConGPU tests continued
6551dba 
refactor of PyPIConGPU tests to tupdate them to the new PyPIConGPU
ionization configuration interface
@BrianMarre
add groundStateIonization as separate group
ddb6ace 
distinguishing between ground-state-only ionization models and ionization models including excited states.
This refactor is intended to allow the easy extension of PyPIConGPU.
@BrianMarre
refactor PyPIConGPU species tests
8b3e737
@BrianMarre
add PICMI ioniaztion configuration interface
8fe67d3
@BrianMarre
switch to pydantic validation for PICMI simulation class
e8c70d8
@BrianMarre
switch to periodic table library for getting ion properties in PICMI
874dca4
@BrianMarre
refactor translation ionization to pypicongpu
2e459a7
@BrianMarre
fixes
dc564f1
@BrianMarre
add are bones documentation
b96f5fa
@BrianMarre
reviewer suggestions
9bc4e7b
@mafshari64 @BrianMarre
fixes
a7cd90c
@BrianMarre
add PICMI laser wakefield example
81ebc2e
@BrianMarre
add PICMI test for PICMI examples
7808056
@BrianMarre
reviewer comments
bf38915
@BrianMarre
make PICMI LWFA test compile for example script
f3f3e8a
@BrianMarre
reviewer comments
9928024 
ci: picongpu
@BrianMarre
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Switched from pdg to particle due to pdg using the distutils removed with python 3.12 causing installs of pdg to fail

@BrianMarre
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@psychocoderHPC please restart the Ci jobs, the failed due to an un specified timeout without an error log

PrometheusPi
PrometheusPi approved these changes Sep 30, 2024
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No full check of functionality - I am fine the cleanup

@PrometheusPi PrometheusPi merged commit 590fb74 into ComputationalRadiationPhysics:dev Sep 30, 2024
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@BrianMarre BrianMarre deleted the topic-addIonizerSupport branch September 30, 2024 14:12
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@mafshari64 mafshari64 mafshari64 approved these changes

@PrometheusPi PrometheusPi PrometheusPi approved these changes

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