Max Lübke
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a718c3efaf
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Revert "feat: make output of H(0) and O(0) optional"
This reverts commit bdb5ce944fd001cb36c8369d8c792f2f4a54c7be.
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2024-12-20 09:21:18 +01:00 |
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Max Lübke
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6ab404eefd
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feat: add with_h0_o0 and with_redox parameters to ChemistryModule and related classes
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2024-12-20 09:21:18 +01:00 |
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Max Luebke
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e5588a2ee9
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feat: add support for redox in PhreeqcMatrix initialization
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2024-12-20 09:21:18 +01:00 |
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Max Luebke
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c5b0ae201c
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feat: make output of H(0) and O(0) optional
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2024-12-20 09:21:17 +01:00 |
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Max Lübke
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45ea77ae0f
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Update subproject commit in ext/iphreeqc
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2024-11-07 14:22:51 +01:00 |
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Max Lübke
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9122e51980
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refactor: Rework deferred R function evaluation
fix: Unique pointer behaviour of `global_rt_setup` was messed up
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2024-09-12 11:40:03 +02:00 |
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hans
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95cb95998e
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feat: Add AI Surrogate functions to V.03
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2024-05-27 09:09:01 +02:00 |
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Max Lübke
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480dd146f4
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BREAKING CHANGE: Enable Surface/Exchange using new API of PhreeqcEngine
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2024-05-06 10:01:57 +00:00 |
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Max Luebke
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e27ce205fb
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Add minimal flag to importList function in InitialList
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2024-04-08 20:47:38 +00:00 |
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Max Luebke
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fa916cc66e
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Refactor code according to static analyzers
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2024-04-08 09:19:48 +00:00 |
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Max Luebke
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5cc161e25e
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Add inner_boundaries handling in DiffusionModule and InitialList
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2024-04-05 08:31:32 +00:00 |
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Max Luebke
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38053fd4d0
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Add support for missing species in init grid, which are injected (by boundary condition)
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2024-04-03 14:25:04 +00:00 |
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Max Luebke
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c667bee7d8
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Add DHT functionality, still need to be validated
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2024-04-02 14:14:19 +00:00 |
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Max Luebke
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b229377adb
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Add chemistry initialization to InitialList class
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2024-04-02 12:06:55 +00:00 |
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Max Lübke
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2c51cd90ef
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Update dependencies and refactor code
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2024-03-28 14:23:20 +00:00 |
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Max Lübke
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0bfc95bb52
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Add Basic heterogeneous diffusion functionality
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2024-03-27 20:34:48 +00:00 |
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Max Luebke
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a04344e435
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Add total_grid_cells to ChemistryInit struct
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2024-03-21 22:33:40 +00:00 |
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Max Lübke
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4fc0d5547b
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Add support for importing and exporting initial grid in InitialList class
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2024-03-21 21:36:09 +00:00 |
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Max Lübke
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7d4c14c356
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Add Init/CMakeLists.txt and ChemistryInit.cpp files, and update initializer.cpp and InitialList.hpp
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2024-03-20 23:46:57 +00:00 |
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Max Lübke
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793c2bb4ff
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Add resolvePqcBound function and refactor parseBoundaries2D function
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2024-03-19 15:37:29 +00:00 |
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Max Lübke
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ebfa10c236
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Update alpha matrix parsing
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2024-03-19 14:07:25 +00:00 |
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Max Lübke
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badb01b4fe
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Refactor initialization code for diffusion and grid
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2024-03-19 13:39:59 +00:00 |
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Max Lübke
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8328fd1390
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Refactor grid initialization and update member access in InitialList
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2024-03-19 12:32:16 +00:00 |
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Max Luebke
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60c3d7b022
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Save latest changes, boundaries still missing or incomplete
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2024-03-19 08:12:20 +00:00 |
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Max Luebke
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9990c12de4
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Add modify_module_sizes function and modify module_sizes in InitialList class
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2024-03-13 23:50:13 +01:00 |
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Max Luebke
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bcabe5bcc4
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Add iphreeqc and init_r_lib submodules, and make necessary changes to CMakeLists.txt and src/initializer.cpp
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2024-03-13 16:57:44 +01:00 |
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