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• f4661a591c Fix diffusion and chem field update order in RunMasterLoop Max Lübke 2024-04-10 09:57:56 +00:00
• 32f7f5af70 Refactor process to output as DataFrames Max Lübke 2024-04-09 08:15:42 +00:00
• 103b26a097 Refactor process to output as DataFrames Max Lübke 2024-04-09 08:15:42 +00:00
• 721388ae12 Refactor R package dependencies in Dockerfile Max Lübke 2024-04-09 08:09:47 +00:00
• f2c5caf307 Refactor R package dependencies in Dockerfile Max Lübke 2024-04-09 08:09:47 +00:00
• 41d00fd079 Add minimal flag to importList function in InitialList Max Luebke 2024-04-08 20:47:38 +00:00
• e27ce205fb Add minimal flag to importList function in InitialList Max Luebke 2024-04-08 20:47:38 +00:00
• 830e139122 Refactor Field.cpp to use Rcpp DataFrame for conversion to SEXP Max Luebke 2024-04-08 15:56:06 +00:00
• 8856825c23 Refactor Field.cpp to use Rcpp DataFrame for conversion to SEXP Max Luebke 2024-04-08 15:56:06 +00:00
• 5182b6aa20 Refactor build file generation Max Luebke 2024-04-08 15:29:47 +00:00
• c42b335aae Refactor build file generation Max Luebke 2024-04-08 15:29:47 +00:00
• d53db0d5a5 Refactor benchmark files to current POET input expectations Max Luebke 2024-04-08 15:28:52 +00:00
• a2f04836a4 Refactor benchmark files to current POET input expectations Max Luebke 2024-04-08 15:28:52 +00:00
• d5e4b03339 Refactor command line argument handling and improve script sourcing in initializer.cpp Max Luebke 2024-04-08 12:49:58 +00:00
• 7febb31bf9 Refactor command line argument handling and improve script sourcing in initializer.cpp Max Luebke 2024-04-08 12:49:58 +00:00
• 89cc239583 Refactor initializer.cpp to handle command line arguments and improve script sourcing Max Luebke 2024-04-08 12:02:47 +00:00
• c9ff062514 Refactor initializer.cpp to handle command line arguments and improve script sourcing Max Luebke 2024-04-08 12:02:47 +00:00
• fb62fd5a7f Refactor code for grid creation and result storage Max Luebke 2024-04-08 11:27:06 +00:00
• 62e734e0d5 Refactor code for grid creation and result storage Max Luebke 2024-04-08 11:27:06 +00:00
• 05d6170943 Fix inner_boundaries handling in DiffusionModule and InitialList Max Luebke 2024-04-08 10:32:00 +00:00
• 3ea3412516 Fix inner_boundaries handling in DiffusionModule and InitialList Max Luebke 2024-04-08 10:32:00 +00:00
• 18fd280f99 Update minimum required CMake version to 3.14 Max Luebke 2024-04-08 10:31:47 +00:00
• 8d64c83123 Update minimum required CMake version to 3.14 Max Luebke 2024-04-08 10:31:47 +00:00
• 2c7fc089cc Refactor code according to static analyzers Max Luebke 2024-04-08 09:19:48 +00:00
• fa916cc66e Refactor code according to static analyzers Max Luebke 2024-04-08 09:19:48 +00:00
• 9a7b6f0f24 Add dolo_inner benchmark Max Luebke 2024-04-05 08:34:41 +00:00
• e6092c9166 Add dolo_inner benchmark Max Luebke 2024-04-05 08:34:41 +00:00
• e57f7923dd Move old benchmark files into old subdir Max Luebke 2024-04-05 08:33:26 +00:00
• a24b4f5f51 Move old benchmark files into old subdir Max Luebke 2024-04-05 08:33:26 +00:00
• 07cf952cee Add inner_boundaries handling in DiffusionModule and InitialList Max Luebke 2024-04-05 08:31:32 +00:00
• 5cc161e25e Add inner_boundaries handling in DiffusionModule and InitialList Max Luebke 2024-04-05 08:31:32 +00:00
• 2ebbb48e4b Update .gitignore to ignore .codechecker directory Max Luebke 2024-04-05 07:05:09 +00:00
• 35049e1a77 Update .gitignore to ignore .codechecker directory Max Luebke 2024-04-05 07:05:09 +00:00
• e891774d6c Refactor code for grid creation and result storage Max Luebke 2024-04-04 09:27:52 +00:00
• 6a88de5c5d Refactor code for grid creation and result storage Max Luebke 2024-04-04 09:27:52 +00:00
• 3add44ce25 Add functions for checking sign and negativity in dol.pqi and dolo_200.R Max Luebke 2024-04-04 09:27:27 +00:00
• d07cfd3465 Add functions for checking sign and negativity in dol.pqi and dolo_200.R Max Luebke 2024-04-04 09:27:27 +00:00
• 9978016854 Add file extension replacement and print output filename Max Luebke 2024-04-03 21:19:39 +00:00
• 004977b2ea Add file extension replacement and print output filename Max Luebke 2024-04-03 21:19:39 +00:00
• 8097723d8e Update Dockerfile with required dependencies and install R packages Max Luebke 2024-04-03 21:03:16 +00:00
• 0a00ea86e6 Update Dockerfile with required dependencies and install R packages Max Luebke 2024-04-03 21:03:16 +00:00
• 6d7666abbc Refactor R functions and how they are called Max Luebke 2024-04-03 21:03:10 +00:00
• 5ce40617b8 Refactor R functions and how they are called Max Luebke 2024-04-03 21:03:10 +00:00
• 9eeb1502e1 Update iterations and dt values in dolo_200_rt.R Max Lübke 2024-04-03 16:46:50 +02:00
• 2b6f17f18c Update iterations and dt values in dolo_200_rt.R Max Lübke 2024-04-03 16:46:50 +02:00
• 0cf6d65128 Add parallel grid creation function and update pqc_to_grid function Max Luebke 2024-04-03 14:24:23 +00:00
• 33f3368d6e Add parallel grid creation function and update pqc_to_grid function Max Luebke 2024-04-03 14:24:23 +00:00
• dd5c14aa88 Fix initialization of transport_names in ChemistryInit and GridInit Max Luebke 2024-04-03 13:00:58 +00:00
• 24b2ed5b46 Fix initialization of transport_names in ChemistryInit and GridInit Max Luebke 2024-04-03 13:00:58 +00:00
• 7655376f89 Update solution parameters in dol.pqi Max Luebke 2024-04-03 12:32:10 +00:00
• 9976538c11 Update solution parameters in dol.pqi Max Luebke 2024-04-03 12:32:10 +00:00
• dc3502685c Add support for missing species in init grid, which are injected (by boundary condition) Max Luebke 2024-04-03 12:31:45 +00:00
• 38053fd4d0 Add support for missing species in init grid, which are injected (by boundary condition) Max Luebke 2024-04-03 12:31:45 +00:00
• 7be00983e5 Update iphreeqc subproject commit Max Luebke 2024-04-03 10:46:32 +00:00
• 57aaff4d69 Update iphreeqc subproject commit Max Luebke 2024-04-03 10:46:32 +00:00
• d389347ad3 Update chem.GetField() to chem.getField() in poet.cpp Max Luebke 2024-04-03 10:46:25 +00:00
• ffd076047d Update chem.GetField() to chem.getField() in poet.cpp Max Luebke 2024-04-03 10:46:25 +00:00
• 465a6595b0 Update runtime and test scripts Max Luebke 2024-04-03 10:43:14 +00:00
• 41b811f048 Update runtime and test scripts Max Luebke 2024-04-03 10:43:14 +00:00
• 9fb97aeda9 Update units in dol.pqi Max Lübke 2024-04-03 10:59:31 +02:00
• 7aea66387a Update units in dol.pqi Max Lübke 2024-04-03 10:59:31 +02:00
• 72079543db Update GIT_SUBMODULE_STRATEGY in .gitlab-ci.yml Max Lübke 2024-04-03 10:10:02 +02:00
• f2e0942737 Update GIT_SUBMODULE_STRATEGY in .gitlab-ci.yml Max Lübke 2024-04-03 10:10:02 +02:00
• efc1bda554 Update Calcite and Dolomite parameters in dol.pqi Max Lübke 2024-04-03 10:08:37 +02:00
• 13b6cf6549 Update Calcite and Dolomite parameters in dol.pqi Max Lübke 2024-04-03 10:08:37 +02:00
• 5f0dc14802 Update out_save in dolo_200_rt.R Max Lübke 2024-04-03 10:08:02 +02:00
• 4468945dec Update out_save in dolo_200_rt.R Max Lübke 2024-04-03 10:08:02 +02:00
• d10bf50f66 Update benchmark Max Lübke 2024-04-02 22:52:17 +02:00
• 4784fc3e12 Refactor to wrap everything in main function into scope, to ensure DHT is freed before MPI_FInalize Max Luebke 2024-04-02 20:47:32 +00:00
• 8da05bcf4a Refactor to wrap everything in main function into scope, to ensure DHT is freed before MPI_FInalize Max Luebke 2024-04-02 20:47:32 +00:00
• b5dedb3422 Remove SimParams class Max Luebke 2024-04-02 20:36:32 +00:00
• ebfa47a494 Remove SimParams class Max Luebke 2024-04-02 20:36:32 +00:00
• 9b38cd2dc1 Add check_sign_cal_dol_dht and fuzz_input_dht_keys functions Max Luebke 2024-04-02 20:24:11 +00:00
• 246fbf4434 Add check_sign_cal_dol_dht and fuzz_input_dht_keys functions Max Luebke 2024-04-02 20:24:11 +00:00
• e380e8fd19 Refactor WorkerRunWorkPackage to copy input instead of overwriting Max Luebke 2024-04-02 20:24:04 +00:00
• 04ce6d35d6 Refactor WorkerRunWorkPackage to copy input instead of overwriting Max Luebke 2024-04-02 20:24:04 +00:00
• 90287ab445 Refactor chemistry module and RHookFunction Max Luebke 2024-04-02 20:23:42 +00:00
• 5972afe12f Refactor chemistry module and RHookFunction Max Luebke 2024-04-02 20:23:42 +00:00
• f2e8f6023d Update iteration end message in kin_r_library.R Max Luebke 2024-04-02 14:37:20 +00:00
• 658fe00bc9 Update iteration end message in kin_r_library.R Max Luebke 2024-04-02 14:37:20 +00:00
• bda9993bcb Add profiling data for DHT and interpolation Max Luebke 2024-04-02 14:17:59 +00:00
• a9a798dd4a Add profiling data for DHT and interpolation Max Luebke 2024-04-02 14:17:59 +00:00
• 47aa43d1e1 Add DHT functionality, still need to be validated Max Luebke 2024-04-02 14:14:19 +00:00
• c667bee7d8 Add DHT functionality, still need to be validated Max Luebke 2024-04-02 14:14:19 +00:00
• 082a758f18 Add chemistry initialization to InitialList class Max Luebke 2024-04-02 12:06:55 +00:00
• b229377adb Add chemistry initialization to InitialList class Max Luebke 2024-04-02 12:06:55 +00:00
• bd4d7a38ca Add dolo_200_rt.R, dol.pqi, and dolo_200.R files for simulation setup Max Luebke 2024-04-02 11:40:25 +00:00
• 14b111662d Add dolo_200_rt.R, dol.pqi, and dolo_200.R files for simulation setup Max Luebke 2024-04-02 11:40:25 +00:00
• fb725f0b50 Update dependencies and refactor code Max Luebke 2024-04-02 11:39:59 +00:00
• 1353460c11 Update dependencies and refactor code Max Luebke 2024-04-02 11:39:59 +00:00
• f184fb7962 Remove doctest submodule and update gitmodules Max Luebke 2024-04-02 09:43:30 +00:00
• 76b83db4bc Remove doctest submodule and update gitmodules Max Luebke 2024-04-02 09:43:30 +00:00
• 20d0eb52ae Update CMakeLists.txt and include headers in test files Max Luebke 2024-04-02 09:25:18 +00:00
• af840e756e Update CMakeLists.txt and include headers in test files Max Luebke 2024-04-02 09:25:18 +00:00
• 53f68a2e56 Remove unnecessary includes and update function signature Max Luebke 2024-04-02 09:16:58 +00:00
• a2dc30962f Remove unnecessary includes and update function signature Max Luebke 2024-04-02 09:16:58 +00:00
• a345191d5a Update dependencies and refactor code Max Lübke 2024-03-28 14:23:20 +00:00
• 2c51cd90ef Update dependencies and refactor code Max Lübke 2024-03-28 14:23:20 +00:00
• 38a631f0ab Add Basic heterogeneous diffusion functionality Max Lübke 2024-03-27 15:35:53 +00:00
• 0bfc95bb52 Add Basic heterogeneous diffusion functionality Max Lübke 2024-03-27 15:35:53 +00:00