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Feature/ldf isotherms #104

Merged
merged 48 commits into from
Dec 16, 2022
Merged

Feature/ldf isotherms #104

merged 48 commits into from
Dec 16, 2022

Commits on Dec 16, 2022

  1. Modified the Readme.md file

    @jazib-hassan-juelich @schmoelder
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  2. Added a section on LDF in the index file of binding models

    @jazib-hassan-juelich @schmoelder
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  3. Modified the content of Freundlich isotherm documentation

    @jazib-hassan-juelich @schmoelder
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  4. Added citations in .bib file

    @jazib-hassan-juelich @schmoelder
    jazib-hassan-juelich authored and schmoelder committed Dec 16, 2022
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  5. Modified the freundlich isotherm equation in the documentation

    @jazib-hassan-juelich @schmoelder
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  6. Added Freundlich isotherm

    @jazib-hassan-juelich @schmoelder
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  7. Modified the Fruendlich equation and k_f units

    @jazib-hassan-juelich @schmoelder
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  8. changed units of kf

    @jazib-hassan-juelich @schmoelder
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  9. Made the change in the unit

    @jazib-hassan-juelich @schmoelder
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  10. Modfication in kf units

    @jazib-hassan-juelich @schmoelder
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  11. Modified the LDF equation

    @jazib-hassan-juelich @schmoelder
    jazib-hassan-juelich authored and schmoelder committed Dec 16, 2022
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  12. Registering new binding models based on LDF approach

    @jazib-hassan-juelich @schmoelder
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  13. Adding BiLangmuirLDF binding model

    @jazib-hassan-juelich @schmoelder
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  14. Adding Langmuir binding model based LDF (q based) approach

    @jazib-hassan-juelich @schmoelder
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  15. Changes made in the Jacobian of the system

    @jazib-hassan-juelich @schmoelder
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  16. Changed the protein flux equation in the model for documetation purposes

    @jazib-hassan-juelich @schmoelder
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  17. Added += in the jac[j..] equation to avoid overwriting of diagonal en… 

    …tries
    @jazib-hassan-juelich @schmoelder
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  18. Adding documentation for Langmuir and Bi Langmuir (LDF) isotherms

    @jazib-hassan-juelich @schmoelder
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  19. Corrected naming convention for external function support

    @jazib-hassan-juelich @schmoelder
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  20. Added the json script to test the LDF based isotherms

    @jazib-hassan-juelich @schmoelder
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  21. Update freundlich_ldf.rst

    @jazib-hassan-juelich @schmoelder
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  22. Revert "Modified the Readme.md file" 

    This reverts commit efba48e.
    @schmoelder
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  23. Modified the Readme file based on @schmoelder review

    @jazib-hassan-juelich @schmoelder
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  24. Modified the Readme file based on @johannes review

    @jazib-hassan-juelich @schmoelder
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  25. Modified the interface parameters names

    @jazib-hassan-juelich @schmoelder
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  26. Modified the documentation of the LDF isotherms

    @jazib-hassan-juelich @schmoelder
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  27. Modified the test of the LDF isotherms

    @jazib-hassan-juelich @schmoelder
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  28. Modified Bi Langmuir isotherms documentation to include info about st… 

    …ate major ordering and correcting the required size of the parameters
    @jazib-hassan-juelich @schmoelder
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  29. Modified the error message related to the consistency in defining bou… 

    …nd states for each component in Bi-Langmuir models
    @jazib-hassan-juelich @schmoelder
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  30. Revert changes to README

    @schmoelder
    schmoelder committed Dec 16, 2022
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  31. Fix header level

    @schmoelder
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  32. Add some more information to the model

    @schmoelder
    schmoelder committed Dec 16, 2022
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  33. Formatting

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  34. Clarify ordering of multi dimensional data

    @schmoelder
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  35. Adding Langmuir LDF liquid phase model configuration in binding model… 

    … factory
    @jazib-hassan-juelich @schmoelder
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  36. Adding Langmuir LDF liquid phase model source file

    @jazib-hassan-juelich @schmoelder
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  37. Modified the calling string of Langmuir LDF Liquid phase model

    @jazib-hassan-juelich @schmoelder
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  38. Added documentation for Langmuir LDF liquid phase

    @jazib-hassan-juelich @schmoelder
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  39. Added tests for Langmuir LDF liquid phase model.

    @schmoelder
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  40. Update documentation

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  41. Removed the un-necessary lines from the CMakeSettings file

    @jazib-hassan-juelich @schmoelder
    jazib-hassan-juelich authored and schmoelder committed Dec 16, 2022
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  42. Made changes in the source code of Fruendlich isotherms based on the … 

    …review
    @jazib-hassan-juelich @schmoelder
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  43. Added test for the Fruendlich isotherm

    @jazib-hassan-juelich @schmoelder
    jazib-hassan-juelich authored and schmoelder committed Dec 16, 2022
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  44. Modified jacimpl code according to review

    @jazib-hassan-juelich @schmoelder
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  45. Modified FLDF parameters in test script

    @jazib-hassan-juelich @schmoelder
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  46. Do not cast to double

    @schmoelder
    schmoelder committed Dec 16, 2022
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  47. Fix Test Parameters.

    @schmoelder
    schmoelder committed Dec 16, 2022
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  48. Fix Jacobians and equations for LDF binding models 

    Fixes several problems with the model equations and Jacobians of the LDF
binding models. Also fixes the tests, which all pass now.
    @sleweke @schmoelder
    sleweke authored and schmoelder committed Dec 16, 2022
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