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✨ Algorithm for finding valid physical parameters for a given charge distribution. #424

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merged 79 commits into from
Jul 22, 2024

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Drewniok
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@Drewniok Drewniok commented Apr 28, 2024

Description

This algorithm provides a highly efficient method for determining the physical parameters that make a given charge distribution physically valid. It also provides the excited state number for a given charge distribution. Thus, for a given physical parameter that makes the cds physically valid, it also provides information about whether the cds is the ground state or the n-th excited state.

This algorithm can be useful for extracting current physical parameters from AFM measurements.

Checklist:

  • The pull request only contains commits that are related to it.
  • I have added appropriate tests and documentation.
  • I have created/adjusted the Python bindings for any new or updated functionality.
  • I have made sure that all CI jobs on GitHub pass.
  • The pull request introduces no new warnings and follows the project's style guidelines.

# Conflicts:
#	docs/algorithms/sidb_simulation.rst
#	include/fiction/technology/charge_distribution_surface.hpp
#	test/algorithms/simulation/sidb/operational_domain.cpp
@Drewniok Drewniok added the enhancement New feature or request label Apr 28, 2024
@Drewniok Drewniok self-assigned this Apr 28, 2024
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clang-tidy review says "All clean, LGTM! 👍"

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codecov bot commented Apr 28, 2024

Codecov Report

Attention: Patch coverage is 97.81022% with 6 lines in your changes missing coverage. Please review.

Project coverage is 98.21%. Comparing base (c1cfe49) to head (bbeeac1).

Additional details and impacted files

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@@            Coverage Diff             @@
##             main     #424      +/-   ##
==========================================
- Coverage   98.22%   98.21%   -0.01%     
==========================================
  Files         214      216       +2     
  Lines       28961    29155     +194     
  Branches     1379     1389      +10     
==========================================
+ Hits        28448    28636     +188     
- Misses        513      519       +6     
Files Coverage Δ
...tion/sidb/assess_physical_population_stability.hpp 96.59% <100.00%> (ø)
.../simulation/sidb/convert_potential_to_distance.hpp 100.00% <ø> (ø)
.../determine_groundstate_from_simulation_results.hpp 100.00% <100.00%> (ø)
...ion/sidb/determine_physically_valid_parameters.hpp 100.00% <100.00%> (ø)
...algorithms/simulation/sidb/energy_distribution.hpp 100.00% <100.00%> (ø)
include/fiction/io/write_operational_domain.hpp 93.75% <100.00%> (ø)
...fiction/technology/charge_distribution_surface.hpp 99.36% <100.00%> (-0.02%) ⬇️
include/fiction/utils/layout_utils.hpp 98.96% <ø> (ø)
...ion/sidb/determine_physically_valid_parameters.cpp 100.00% <100.00%> (ø)
.../algorithms/simulation/sidb/operational_domain.cpp 100.00% <100.00%> (ø)
... and 3 more

... and 2 files with indirect coverage changes


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clang-tidy review says "All clean, LGTM! 👍"

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clang-tidy review says "All clean, LGTM! 👍"

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clang-tidy review says "All clean, LGTM! 👍"

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clang-tidy review says "All clean, LGTM! 👍"

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clang-tidy review says "All clean, LGTM! 👍"

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clang-tidy review says "All clean, LGTM! 👍"

@Drewniok Drewniok requested a review from marcelwa May 24, 2024 12:19
@Drewniok Drewniok requested a review from marcelwa July 17, 2024 12:08
@Drewniok Drewniok requested a review from marcelwa July 18, 2024 11:50
marcelwa
marcelwa previously approved these changes Jul 18, 2024
@Drewniok Drewniok requested a review from marcelwa July 22, 2024 14:43
@marcelwa marcelwa merged commit 308adf9 into cda-tum:main Jul 22, 2024
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@Drewniok Drewniok deleted the explain_afm_picture branch July 23, 2024 14:31
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3 participants