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Author SHA1 Message Date
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
Max Lübke
6c4df5f375 Update initial and boundary conditions for dolo large model 2024-02-26 12:34:42 +01:00
Max Lübke
b5eb0e6592 Add .vscode to .gitignore 2024-02-22 09:47:05 +01:00
Marco De Lucia
bb7e684d8f fix: updated bench/barite/{barite.R, barite_interp_eval.R}, added bench/barite/barite_200.R 2024-01-12 12:50:54 +01:00
Max Lübke
de3b2db455 Update file dolo_interp_long.R 2023-11-21 16:25:50 +01:00
Max Lübke
87c32156b9 docs: improve main SVG 2023-11-01 11:01:38 +01:00
Max Lübke
ffce08f406 feat: instead of always storing exact input and output make it dependent 
on the usage of interpolation
 2023-11-01 10:55:46 +01:00
Max Lübke
a9a14cf333 feat: make storage of input values in DHT optional 2023-09-08 22:43:52 +02:00
Max Lübke
c4995f86c0 fix: output DHT size in megabyte 2023-09-07 09:12:44 +02:00
Marco De Lucia
4ddf243520 docs: README for surfex bench 2023-08-26 18:39:50 +02:00