Max Lübke
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f5f2cb4b9c
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Merge branch 'ml/fix-chemistry' into 'main'
Fix chemistry
See merge request naaice/poet!30
v0.3
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2024-05-07 12:30:13 +02:00 |
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Max Lübke
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e79881d9c5
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chore: Update subproject commit in ext/iphreeqc
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2024-05-07 09:52:31 +00:00 |
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Max Lübke
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44775ea018
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fix: Correct logic for updating output values in WorkerRunWorkPackage
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2024-05-07 08:34:18 +00:00 |
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Max Lübke
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4da95e385b
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Merge branch 'ml/build' into 'main'
Update CMakeLists.txt to conditionally add the bench subdirectory based on the...
See merge request naaice/poet!29
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2024-05-06 13:27:27 +02:00 |
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Max Lübke
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d399ca8190
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Update CMakeLists.txt to conditionally add the bench subdirectory based on the POET_PREPROCESS_BENCHS option
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2024-05-06 11:26:13 +00:00 |
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Max Lübke
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22458b41f4
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Merge branch 'ml/ci' into 'main'
Refactor CI/CD pipeline
See merge request naaice/poet!28
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2024-05-06 13:17:40 +02:00 |
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Max Lübke
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aec3d8f63a
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Refactor CI/CD pipeline
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2024-05-06 13:17:39 +02:00 |
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Max Lübke
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74bafca4b8
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Merge branch 'ml/surfex' into 'main'
Enable Surfex/Exchange reactants using IPhreeqc/POET API
See merge request naaice/poet!27
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2024-05-06 12:11:50 +02:00 |
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Max Lübke
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2e265443b9
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Update Readme
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2024-05-06 10:09:28 +00:00 |
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Max Lübke
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20a0c453b0
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Add EGU debug model
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2024-05-06 10:09:28 +00:00 |
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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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d7c23c6b3c
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Fix build process to only produce benchmarks when needed
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2024-04-15 09:10:11 +00:00 |
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Max Lübke
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e11caba0b3
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Fix grid size assignment in GridInit.cpp
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2024-04-12 12:35:43 +00:00 |
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Max Lübke
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6d36dd7a2e
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Refactor R_lib/kin_r_library.R to use setup$maxiter instead of iter for calculating max digits
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2024-04-10 10:24:00 +00:00 |
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Max Lübke
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7ee438b667
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Remove doctest submodule
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2024-04-10 10:24:00 +00:00 |
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Max Lübke
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f4661a591c
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Fix diffusion and chem field update order in RunMasterLoop
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2024-04-10 10:24:00 +00:00 |
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Max Lübke
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103b26a097
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Refactor process to output as DataFrames
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2024-04-10 10:24:00 +00:00 |
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Max Lübke
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f2c5caf307
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Refactor R package dependencies in Dockerfile
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2024-04-09 08:09:47 +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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8856825c23
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Refactor Field.cpp to use Rcpp DataFrame for conversion to SEXP
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2024-04-08 20:31:36 +00:00 |
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Max Luebke
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c42b335aae
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Refactor build file generation
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2024-04-08 20:31:36 +00:00 |
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Max Luebke
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a2f04836a4
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Refactor benchmark files to current POET input expectations
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2024-04-08 20:31:36 +00:00 |
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Max Luebke
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7febb31bf9
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Refactor command line argument handling and improve script sourcing in initializer.cpp
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2024-04-08 12:49:58 +00:00 |
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Max Luebke
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c9ff062514
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Refactor initializer.cpp to handle command line arguments and improve script sourcing
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2024-04-08 12:02:47 +00:00 |
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Max Luebke
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62e734e0d5
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Refactor code for grid creation and result storage
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2024-04-08 11:27:06 +00:00 |
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Max Luebke
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3ea3412516
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Fix inner_boundaries handling in DiffusionModule and InitialList
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2024-04-08 10:32:00 +00:00 |
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Max Luebke
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8d64c83123
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Update minimum required CMake version to 3.14
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2024-04-08 10:31:47 +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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e6092c9166
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Add dolo_inner benchmark
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2024-04-05 08:34:41 +00:00 |
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Max Luebke
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a24b4f5f51
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Move old benchmark files into old subdir
Move new benchmark files from `het` folder
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2024-04-05 08:33:26 +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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35049e1a77
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Update .gitignore to ignore .codechecker directory
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2024-04-05 07:05:09 +00:00 |
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Max Luebke
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6a88de5c5d
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Refactor code for grid creation and result storage
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2024-04-04 09:27:52 +00:00 |
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Max Luebke
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d07cfd3465
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Add functions for checking sign and negativity in dol.pqi and dolo_200.R
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2024-04-04 09:27:27 +00:00 |
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Max Luebke
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004977b2ea
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Add file extension replacement and print output filename
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2024-04-03 21:19:39 +00:00 |
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Max Luebke
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0a00ea86e6
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Update Dockerfile with required dependencies and install R packages
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2024-04-03 21:03:16 +00:00 |
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Max Luebke
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5ce40617b8
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Refactor R functions and how they are called
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2024-04-03 21:03:10 +00:00 |
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Max Lübke
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2b6f17f18c
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Update iterations and dt values in dolo_200_rt.R
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2024-04-03 16:46:50 +02:00 |
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Max Luebke
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33f3368d6e
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Add parallel grid creation function and update pqc_to_grid function
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2024-04-03 14:25:04 +00:00 |
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Max Luebke
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24b2ed5b46
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Fix initialization of transport_names in ChemistryInit and GridInit
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2024-04-03 14:25:04 +00:00 |
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Max Luebke
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9976538c11
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Update solution parameters in dol.pqi
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2024-04-03 14:25:04 +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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57aaff4d69
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Update iphreeqc subproject commit
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2024-04-03 10:47:33 +00:00 |
|
Max Luebke
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ffd076047d
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Update chem.GetField() to chem.getField() in poet.cpp
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2024-04-03 10:47:32 +00:00 |
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Max Luebke
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41b811f048
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Update runtime and test scripts
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2024-04-03 10:46:54 +00:00 |
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Max Lübke
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7aea66387a
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Update units in dol.pqi
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2024-04-03 10:59:31 +02:00 |
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Max Lübke
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f2e0942737
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Update GIT_SUBMODULE_STRATEGY in .gitlab-ci.yml
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2024-04-03 10:10:02 +02:00 |
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Max Lübke
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13b6cf6549
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Update Calcite and Dolomite parameters in dol.pqi
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2024-04-03 10:08:37 +02:00 |
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Max Lübke
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4468945dec
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Update out_save in dolo_200_rt.R
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2024-04-03 10:08:02 +02:00 |
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Max Luebke
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8da05bcf4a
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Refactor to wrap everything in main function into scope, to ensure DHT is freed before MPI_FInalize
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2024-04-02 20:47:32 +00:00 |
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