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Prelease 0.0.5 #123

Merged
merged 279 commits into from
Mar 19, 2024
Merged

Prelease 0.0.5 #123

merged 279 commits into from
Mar 19, 2024
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Commits on Jan 24, 2023

  1. Pin numpy due to numba bug

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  2. Merge pull request #57 from easyScience/easycore-0.3.0 

    Easycore-0.3.0
    @arm61
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  3. Merge conflicts

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  4. Fix pp.toml

    @arm61
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  5. Remove flake8 with poetry

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    arm61 committed Jan 24, 2023
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  6. Bug fix

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  7. Remove docs build

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Commits on Jan 25, 2023

  1. Merge pull request #58 from easyScience/no_poetry 

    Removal of poetry
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Commits on Dec 5, 2023

  1. changed dependency to fixed easyCore

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  2. and now with fixed typos

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    rozyczko committed Dec 5, 2023
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  3. pin scipp version

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  4. Merge pull request #59 from easyScience/fixed_unit_tests 

    fitting tests/functionality fixed
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Commits on Dec 12, 2023

  1. pin hatchling, gitignore

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  2. Merge pull request #61 from easyScience/pin_hatchling 

    pin hatchling, gitignore
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Commits on Dec 18, 2023

  1. py311 tests pass, scipp 23.08

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  2. added python 3.11 to pipelines

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  3. Merge pull request #63 from easyScience/python311 

    Added support for python 3.11
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Commits on Jan 3, 2024

  1. explicit packages different from project name

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  2. update scipp

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  3. revert scipp version

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  4. scipp==23.08.0

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Commits on Jan 4, 2024

  1. set hatchling version

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  2. Merge pull request #64 from easyScience/hatchling-latest-preserve-mod… 

    …ule-name

Latest hatchling, preserve module name
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Commits on Jan 8, 2024

  1. adjust plot to satisfy scipp.plopp

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  2. adjustments

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  3. no need for ipympl

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Commits on Jan 9, 2024

  1. removed plural s in neutron

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  2. scipp update, dataset to datagroup

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Commits on Jan 10, 2024

  1. plot adjustments

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  2. code cleaning

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  3. copy to ensure new object

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  4. pr response

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  5. clean output notebook

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  6. revert changes to ort files

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  7. Merge pull request #65 from easyScience/plopp-plotting-more-strict-scipp 

    Bumped scipp to 23.08
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  8. Merge remote-tracking branch 'origin/develop' into dataset-to-datagroup

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  9. ort with plural s

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  10. removed python 3.8

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Commits on Jan 11, 2024

  1. clean notebook

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  2. revert change in background.bonds

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  3. Merge pull request #66 from easyScience/dataset-to-datagroup 

    Latest Scipp (Dataset -> DataGroup)
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Commits on Jan 17, 2024

  1. Merge remote-tracking branch 'origin/HEAD' into develop

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Commits on Jan 18, 2024

  1. extract docs dependencies, pipeline rename and clean

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Commits on Jan 19, 2024

  1. code with tests

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Commits on Jan 22, 2024

  1. seems to be working

    @andped10
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  2. adjust tests

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  3. reordering

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  4. update tests

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  5. multiline import isort

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Commits on Jan 23, 2024

  1. fix codefactor

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Commits on Jan 29, 2024

  1. able to set name

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  2. added -dev to version name to make it clear when pip uses a local module

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Commits on Jan 30, 2024

  1. Merge commit '71fbb174ea1cf1396172aaaa51f9feb345af27a1' into gradient… 

    …-layer
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  2. code analysis pipeline

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  3. code ql

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  4. Merge branch 'develop' into gradient-layer

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Commits on Jan 31, 2024

  1. pipeline job and toml

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  2. no dependency install

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  3. code cleaning

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  4. initial sorting

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  5. initial sorting test and docs

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  6. user feedback in pipeline

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  7. echo syntax

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  8. echo step syntax

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  9. wrong formatting test

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  10. user feedback syntax

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  11. user feedback

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  12. user feedback

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  13. bumped action for checkout and python-version

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  14. fix import

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  15. bumped codecov

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  16. role back codecov to v3

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  17. remove black related

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  18. pr response

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  19. Merge pull request #68 from easyScience/clean-docs-pipeline 

    Cleaning docs building
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  20. Merge commit '435570a877c7d3fd95b7748b5f58dac29d6da4cf' into 72-isort

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Commits on Feb 1, 2024

  1. use ruff rather than flake8 and isort

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  2. test error in linting

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  3. back to code with no issues

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  4. ruff single line rather than isort multiline=3 and grid

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  5. single line import

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  6. only formatting

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  7. single quote and exclude tests

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  8. refactored calculator and interface code

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  9. pr respnse

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  10. Merge branch 'gradient-layer' of https://github.com/easyScience/EasyR… 

    …eflectometryLib into gradient-layer
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  11. Merge pull request #71 from easyScience/gradient-layer 

    Gradient layer skeleton
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Commits on Feb 2, 2024

  1. Merge remote-tracking branch 'origin/develop' into 72-ruff

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  2. Merge branch 'develop' into 72-ruff

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  3. ruff fix

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Commits on Feb 5, 2024

  1. pr repsonse

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  2. Merge pull request #74 from easyScience/72-ruff 

    Static code analysis using ruff
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  3. Merge commit '96b9e30a9f026d496adca1dbcb9384daf1aad311' into 75-chang… 

    …e-interface-folder-structure
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  4. moved items to module

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  5. Revert "moved items to module" 

    This reverts commit d2aca10.
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  6. moved items to module

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  7. revert interfaces

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  8. revert interfaces

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  9. adjust interfaces

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  10. Merge pull request #77 from easyScience/75-change-interface-folder-st… 

    …ructure

Refactoring of interface and calculator code
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  11. Merge remote-tracking branch 'origin/develop' into 83-clear-up-classe… 

    …s-in-sample
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  12. folder and file renaming

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  13. factory and base

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  14. revert interface

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  15. revert interface

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  16. test cleaning

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  17. typo in file name

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  18. fix init

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  19. added abstract methods

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Commits on Feb 6, 2024

  1. code formatting and abstract methods

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  2. chaning from interface to calculator

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  3. notebook from interface to calculator

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  4. single qoutes

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  7. Merge pull request #85 from easyScience/83-clear-up-classes-in-sample 

    83 changed items folder into module
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  8. Merge commit '5a9a1ef6321eb19200ea8d4a92c9ff1696db4c63' into 76-make-… 

    …new-class-hierarchy-for-calculators
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  1. update notebooks

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  1. code cleaning

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  3. Revert "clean up typing" 

    This reverts commit c7034b5.
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  9. sample split in elementals and assemblies

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  10. Merge branch '83-clear-up-classes-in-sample' of https://github.com/ea… 

    …syScience/EasyReflectometryLib into 83-clear-up-classes-in-sample
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  11. base class for elements

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Commits on Feb 9, 2024

  1. from layers to layer_collection

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  4. revert only to fix imports

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  5. from structure to sample

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  7. split up layers and materials

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Commits on Feb 10, 2024

  1. Merge pull request #86 from easyScience/76-make-new-class-hierarchy-f… 

    …or-calculators

76 make new class hierarchy for calculators
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  2. typing

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  3. Merge remote-tracking branch 'origin/develop' into 83-clear-up-classe… 

    …s-in-sample
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  4. merge corrections

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  1. fix born againg

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  1. change folder to elements and file names for base classes

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  2. changed class name from MultiLayer to Multilayer (small caps)

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Commits on Feb 15, 2024

  1. Merge pull request #87 from easyScience/83-clear-up-classes-in-sample 

    83 clear up classes in sample
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  2. reordering code cleaning

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  5. bae_assembly

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  1. extending base_assembly

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  7. fix test

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  8. change from multilayer to base_assembly

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  1. new material solvated

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  1. rename chemical_structure to molecular_formula

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  2. proctecting instance variables

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  3. ruff used in subsection of test

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  4. use MaterialSolvated in notebook

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  5. adjust tests

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  1. added test

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  2. pr response typo

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  3. pr response handle bottom and top for 0 layers

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  4. PR response clarify need for type

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  5. changed to Optional typing

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  6. Merge pull request #90 from easyScience/84-create-new-bilayer-item 

    84 Extending assembly base class
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  7. Merge branch 'develop' into 91-introduce-materialsolvated-to-clean-su… 

    …rfactant-code
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  1. added andreas to maintainers

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  1. copyright, item to assembly

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  1. Merge commit '1da5c3268291ea0ca48d34ef6442768297917c6a' into 98-prett… 

    …ify-the-autogenerated-api-documention
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  3. clean up layer docstring

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  4. updates to docs string

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  1. docstring

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  2. change code comment to instance creation

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  3. vairous docs, docstrings and notebooks

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  5. references

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  1. code cleaning

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  2. ruff

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  4. roll back unsupported (py3.9) typing

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  5. docstring cleaning

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  6. removing * from docstring

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  7. update docs

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  8. PR docstrings

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  9. fix introduced bug

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  10. Merge pull request #99 from easyScience/98-prettify-the-autogenerated… 

    …-api-documention

98 prettify the autogenerated api documention
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  11. Merge remote-tracking branch 'origin/develop' into 91-introduce-mater… 

    …ialsolvated-to-clean-surfactant-code
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  12. fix merge

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Commits on Feb 29, 2024

  1. code cleaning

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  2. minor clearning

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Commits on Mar 1, 2024

  1. doc cleaning and generate name in solventmaterial

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  2. removed solvated from material name

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  3. changed to chemical formula

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  4. Merge pull request #92 from easyScience/91-introduce-materialsolvated… 

    …-to-clean-surfactant-code

91 introduce MaterialSolvated to clean surfactant code
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  5. before changing bottom and top

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Commits on Mar 4, 2024

  1. fix tests and notebooks

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  2. ruff for tests in sample

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  3. code cleaning

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  4. specifying parameters in surfactantlayer from pars

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  5. pr response

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  6. pr response, remove tail and head layer

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  7. chemical to molecular in layer_apm

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  8. pr response

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  9. pr response

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  10. pr response

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  11. ruff

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Commits on Mar 5, 2024

  1. Merge pull request #102 from easyScience/101-rename-solvation-to-solv… 

    …ent_surface_coverage

101 rename solvation to solvent surface coverage
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  2. apm to area per molecule

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  3. clean notebooks

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  4. code cleaning

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  5. last ruff

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  6. code cleaning

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  7. introduce head and tail layer in surfactant

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  8. import correction

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  9. Merge pull request #104 from easyScience/103-get-rid-of-the-apm-abrev… 

    …ation-in-the-code

Get rid of the APM abbreviation
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Commits on Mar 7, 2024

  1. change to solvent fraction

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  2. prt files, neutron without s

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  3. clean notebooks

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    andped10 committed Mar 7, 2024
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  4. docs fixes

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  5. revert changes that were not needed

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    andped10 committed Mar 7, 2024
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  6. code cleaning

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    andped10 committed Mar 7, 2024
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Commits on Mar 8, 2024

  1. pr response

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Commits on Mar 12, 2024

  1. Merge pull request #109 from EasyScience/105-requests-from-jos-correct 

    105 requests from jos correct
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  2. fix notebooks

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    andped10 committed Mar 12, 2024
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  3. consistent usage of front (fitst interaction with neutrons) and back … 

    …layer
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  4. docstring correction

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    andped10 committed Mar 12, 2024
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Commits on Mar 13, 2024

  1. pr response

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  2. make it clear that sld is set thorigh constraint

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  3. code comments

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Commits on Mar 14, 2024

  1. PR response

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  2. Merge pull request #118 from EasyScience/100-confirm-that-tha-apm-wor… 

    …ks-as-intended-when-a-new-molecular-formula

Make it clear that sld and isld are managed through constraints
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  3. from easyCore

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Commits on Mar 15, 2024

  1. update have version is determined

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  2. pr response

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  3. changes from easycore

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  4. Merge pull request #117 from EasyScience/116-ensure-that-the-terms-su… 

    …per-and-sub-phase-is-used-correctly-in-notebooks

116 ensure that the terms super and sub phase is used correctly in notebooks
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Commits on Mar 18, 2024

  1. fix tests

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    andped10 committed Mar 18, 2024
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  2. Merge pull request #122 from EasyScience/120-workflow-consistent-with… 

    …-easycore

120 workflow consistent with EasyCore
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    andped10 authored Mar 18, 2024
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Commits on Mar 19, 2024

  1. bump version

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