Max Luebke
ca1f8a19bb
Refactor chemistry module and RHookFunction
2024-04-02 20:23:42 +00:00
Max Luebke
c7b9ab0b53
Update iteration end message in kin_r_library.R
2024-04-02 14:37:20 +00:00
Max Luebke
7d6871a180
Add profiling data for DHT and interpolation
2024-04-02 14:17:59 +00:00
Max Luebke
6d050ad34c
Add DHT functionality, still need to be validated
2024-04-02 14:14:19 +00:00
Max Luebke
40e7bbe7cc
Add chemistry initialization to InitialList class
2024-04-02 12:06:55 +00:00
Max Luebke
d196d3c25d
Add dolo_200_rt.R, dol.pqi, and dolo_200.R files for simulation setup
2024-04-02 11:41:38 +00:00
Max Luebke
1c004dfda9
Update dependencies and refactor code
2024-04-02 11:41:38 +00:00
Max Luebke
5d46360c33
Remove doctest submodule and update gitmodules
2024-04-02 10:33:56 +00:00
Max Luebke
fe4d71f680
Update CMakeLists.txt and include headers in test files
2024-04-02 09:25:18 +00:00
Max Luebke
08a2baba11
Remove unnecessary includes and update function signature
2024-04-02 09:16:58 +00:00
Max Lübke
80ce92699f
Update dependencies and refactor code
2024-03-28 14:23:20 +00:00
Max Lübke
7a31858aaf
Add Basic heterogeneous diffusion functionality
2024-03-27 20:34:48 +00:00
Max Luebke
cb56f4aa10
Add total_grid_cells to ChemistryInit struct
2024-03-21 22:33:40 +00:00
Max Lübke
d8dddf14f2
Add support for importing and exporting initial grid in InitialList class
2024-03-21 21:36:09 +00:00
Max Lübke
5d4a05fe9b
Add Init/CMakeLists.txt and ChemistryInit.cpp files, and update initializer.cpp and InitialList.hpp
2024-03-20 23:46:57 +00:00
Max Lübke
265638ab17
Update include statement and add CMakeLists.txt for DataStructures
2024-03-20 22:33:23 +00:00
Max Luebke
8969fea7e2
Update grid and diffusion setup in test.R
2024-03-19 22:03:22 +00:00
Max Lübke
bc923b75e6
Add resolvePqcBound function and refactor parseBoundaries2D function
2024-03-19 15:37:29 +00:00
Max Lübke
6ec98077d7
Update alpha matrix parsing
2024-03-19 14:07:25 +00:00
Max Lübke
e3f002de49
Refactor initialization code for diffusion and grid
2024-03-19 13:39:59 +00:00
Max Lübke
b0c65ddbda
Add file reading functionality and update script and database handling
2024-03-19 13:11:42 +00:00
Max Lübke
feb8efa73d
Refactor grid initialization and update member access in InitialList
2024-03-19 12:32:16 +00:00
Max Lübke
ab7efbc3a8
Update getModuleSizes function to use new API
2024-03-19 09:48:31 +00:00
Max Lübke
9fdda31151
Refactor pqc_to_grid function to use matrix instead of data.table
2024-03-19 09:47:40 +00:00
Max Luebke
2b74fca740
Save latest changes, boundaries still missing or incomplete
2024-03-19 08:12:20 +00:00
Max Luebke
371eb1367a
Add modify_module_sizes function and modify module_sizes in InitialList class
2024-03-13 23:50:13 +01:00
Max Luebke
8f698149da
Update function name to replaceRawKeywordIDs in GridInit.cpp
2024-03-13 22:06:07 +01:00
Max Luebke
d012936c6d
Update RAW Keywords to always refer to ID 1
2024-03-13 22:05:06 +01:00
Max Luebke
9b144f8ec5
Update CMakeLists.txt and add new files for barite_het simulation
2024-03-13 17:11:53 +01:00
Max Luebke
3d203f307f
Remove installation of poet binary
2024-03-13 16:58:37 +01:00
Max Luebke
a1e771f7ed
Add iphreeqc and init_r_lib submodules, and make necessary changes to CMakeLists.txt and src/initializer.cpp
2024-03-13 16:57:44 +01:00
Max Lübke
c050613614
Add apps directory and initializer application
2024-03-07 13:54:53 +00:00
Max Lübke
2f72ebc73d
Fix path in GitLab CI script
2024-03-07 13:41:50 +00:00
Max Lübke
d86e7fa8f7
Update dependencies in ci.Dockerfile
2024-03-07 13:41:34 +00:00
Max Lübke
6e055a52e1
Fix build of pages
2024-03-07 13:39:27 +00:00
Max Lübke
49917d2d23
Add Dockerfile for CI environment
2024-03-07 13:39:14 +00:00
Max Lübke
09adce1f8b
Merge remote-tracking branch 'origin/main' into v0.x
2024-03-06 13:36:36 +00:00
Max Lübke
251f760564
Update doxygen configuration
2024-03-06 12:25:30 +00:00
Max Lübke
4887699b35
Add Dockerfile and devcontainer.json for VS Code development environment
2024-03-06 12:25:17 +00:00
Max Lübke
4b7700cb2a
Remove R_lib subdirectory from CMakeLists.txt
2024-03-06 12:24:07 +00:00
Max Lübke
62c0a74048
Merge branch 'include_scripts' into 'v0.x'
...
Add R library file as string to executable
See merge request naaice/poet!21
2024-03-06 12:34:49 +01:00
Max Lübke
10c31e3a9a
Add R library file as string to executable
2024-03-06 12:34:02 +01:00
Max Lübke
13e79382fe
Merge branch 'restructure' into 'v0.x'
...
Refactor build process
See merge request naaice/poet!20
2024-03-06 12:03:49 +01:00
Max Lübke
2bfee6c99f
Remove unused CMakeLists.txt file for SurrogateModels
2024-03-06 12:03:02 +01:00
Max Lübke
f7323c05c3
Add OMPI_SKIP_MPICXX to target_compile_definitions in CMakeLists.txt
2024-03-06 12:01:19 +01:00
Max Lübke
3613d52d1e
Update CMakeLists.txt and include headers in test files
2024-03-06 11:59:18 +01:00
Max Lübke
1250dc59d9
Add Macros.hpp and RInsidePOET.hpp***
...
***Add RInsidePOET class and RHookFunction template***
***Update include paths in SimParams.hpp***
***Update CMakeLists.txt to link poetlib***
***Update DHT_Wrapper.hpp include path***
***Update DiffusionModule.cpp include path***
***Update poet.cpp include paths***
***Add poet.hpp.in
2024-03-06 11:59:12 +01:00
Max Lübke
52fdbb8d2f
Remove unused 'app' directory
2024-03-06 11:32:45 +01:00
Max Lübke
fb8a8d24b6
Refactor build process
...
Now include/app paths are combined in the src dir.
2024-03-06 11:26:52 +01:00
Max Lübke
3d9f8d84cd
Fix broken Dolo large benchmark
...
Update surfex to a larger grid size
2024-03-01 12:57:42 +01:00
