Max Luebke
658fe00bc9
Update iteration end message in kin_r_library.R
2024-04-02 14:37:20 +00:00
Max Luebke
a9a798dd4a
Add profiling data for DHT and interpolation
2024-04-02 14:17:59 +00:00
Max Luebke
c667bee7d8
Add DHT functionality, still need to be validated
2024-04-02 14:14:19 +00:00
Max Luebke
b229377adb
Add chemistry initialization to InitialList class
2024-04-02 12:06:55 +00:00
Max Luebke
14b111662d
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
1353460c11
Update dependencies and refactor code
2024-04-02 11:41:38 +00:00
Max Luebke
76b83db4bc
Remove doctest submodule and update gitmodules
2024-04-02 10:33:56 +00:00
Max Luebke
af840e756e
Update CMakeLists.txt and include headers in test files
2024-04-02 09:25:18 +00:00
Max Luebke
a2dc30962f
Remove unnecessary includes and update function signature
2024-04-02 09:16:58 +00:00
Max Lübke
2c51cd90ef
Update dependencies and refactor code
2024-03-28 14:23:20 +00:00
Max Lübke
0bfc95bb52
Add Basic heterogeneous diffusion functionality
2024-03-27 20:34:48 +00:00
Max Luebke
a04344e435
Add total_grid_cells to ChemistryInit struct
2024-03-21 22:33:40 +00:00
Max Lübke
4fc0d5547b
Add support for importing and exporting initial grid in InitialList class
2024-03-21 21:36:09 +00:00
Max Lübke
7d4c14c356
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
2797351057
Update include statement and add CMakeLists.txt for DataStructures
2024-03-20 22:33:23 +00:00
Max Luebke
8cd69bcde4
Update grid and diffusion setup in test.R
2024-03-19 22:03:22 +00:00
Max Lübke
793c2bb4ff
Add resolvePqcBound function and refactor parseBoundaries2D function
2024-03-19 15:37:29 +00:00
Max Lübke
ebfa10c236
Update alpha matrix parsing
2024-03-19 14:07:25 +00:00
Max Lübke
badb01b4fe
Refactor initialization code for diffusion and grid
2024-03-19 13:39:59 +00:00
Max Lübke
d77aad7d2e
Add file reading functionality and update script and database handling
2024-03-19 13:11:42 +00:00
Max Lübke
8328fd1390
Refactor grid initialization and update member access in InitialList
2024-03-19 12:32:16 +00:00
Max Lübke
8d6aafbec4
Update getModuleSizes function to use new API
2024-03-19 09:48:31 +00:00
Max Lübke
c9cf6c92e7
Refactor pqc_to_grid function to use matrix instead of data.table
2024-03-19 09:47:40 +00:00
Max Luebke
60c3d7b022
Save latest changes, boundaries still missing or incomplete
2024-03-19 08:12:20 +00:00
Max Luebke
9990c12de4
Add modify_module_sizes function and modify module_sizes in InitialList class
2024-03-13 23:50:13 +01:00
Max Luebke
e102550835
Update function name to replaceRawKeywordIDs in GridInit.cpp
2024-03-13 22:06:07 +01:00
Max Luebke
eaf4b2b712
Update RAW Keywords to always refer to ID 1
2024-03-13 22:05:06 +01:00
Max Luebke
31d09ecc27
Update CMakeLists.txt and add new files for barite_het simulation
2024-03-13 17:11:53 +01:00
Max Luebke
5357bdf975
Remove installation of poet binary
2024-03-13 16:58:37 +01:00
Max Luebke
bcabe5bcc4
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
24b0607e94
Add apps directory and initializer application
2024-03-07 13:54:53 +00:00
Max Lübke
bec496e0fb
Merge branch 'v0.x' into 'main'
...
Fix path in GitLab CI
See merge request naaice/poet!25
2024-03-07 14:43:03 +01:00
Max Lübke
a6063776ea
Fix path in GitLab CI script
2024-03-07 13:41:50 +00:00
Max Lübke
29018afa13
Update dependencies in ci.Dockerfile
2024-03-07 13:41:34 +00:00
Max Lübke
575739c4bd
Merge branch 'v0.x' into 'main'
...
CI fixes
See merge request naaice/poet!24
2024-03-07 14:40:15 +01:00
Max Lübke
5c44146633
Fix build of pages
2024-03-07 13:39:27 +00:00
Max Lübke
912c083353
Add Dockerfile for CI environment
2024-03-07 13:39:14 +00:00
Max Lübke
606dc0ce1f
Merge branch 'v0.x' into 'main'
...
Preparation for EuroPar24 contribution
See merge request naaice/poet!23
2024-03-06 14:37:39 +01:00
Max Lübke
e6e159517d
Merge remote-tracking branch 'origin/main' into v0.x
2024-03-06 13:36:36 +00:00
Max Lübke
1b0d2c92fe
Update doxygen configuration
2024-03-06 12:25:30 +00:00
Max Lübke
17bc121d7c
Add Dockerfile and devcontainer.json for VS Code development environment
2024-03-06 12:25:17 +00:00
Max Lübke
e74805370e
Remove R_lib subdirectory from CMakeLists.txt
2024-03-06 12:24:07 +00:00
Max Lübke
408aac4588
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
06c63a125b
Add R library file as string to executable
2024-03-06 12:34:02 +01:00
Max Lübke
bfe4d0d751
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
f1f56494f9
Remove unused CMakeLists.txt file for SurrogateModels
2024-03-06 12:03:02 +01:00
Max Lübke
58435a94d6
Add OMPI_SKIP_MPICXX to target_compile_definitions in CMakeLists.txt
2024-03-06 12:01:19 +01:00
Max Lübke
5ddc239499
Update CMakeLists.txt and include headers in test files
2024-03-06 11:59:18 +01:00
Max Lübke
a17f40d31c
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
547156b017
Remove unused 'app' directory
2024-03-06 11:32:45 +01:00
