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Author SHA1 Message Date
rastogi
0491f49004 Wp data not being shuffled correctly. 2025-10-23 23:14:14 +02:00
rastogi
0f4051dbee migrate: separate control logic from ChemistryModule into dedicated ControlModule 2025-10-19 11:49:52 +02:00
rastogi
d1d6211c30 Modified IO functions 2025-10-17 15:37:49 +02:00
rastogi
af6462409b Added rrmse threshold values 2025-10-15 11:32:29 +02:00
rastogi
96567f9074 Control component with minimum features 2025-10-15 10:15:21 +02:00
rastogi
1a1054faa4 Merge branch 'control-loop' of git.gfz-potsdam.de:naaice/poet into control-loop 2025-10-02 13:21:57 +02:00
rastogi
d6a83fc799 feat(control): dynamic prototype, penalty_iteration, error while disabling surrogate fixed 2025-10-02 13:20:53 +02:00
Max Lübke
2bd1ba5e86 feat(grid): enable cell_ID integration in chemistry data flow 2025-09-25 15:08:13 +02:00
rastogi
68b55ae02f feat(control): disable surrogate model after rollback until next iteration 2025-09-21 17:45:12 +02:00
rastogi
24268d7981 rollback implemented, triggered when MAPE exceeds epsilon 2025-09-12 09:47:00 +02:00
Max Lübke
7337bc93cf cleanup computeStats() 2025-09-04 14:20:08 +02:00
Max Lübke
1b83bfed6e fix mssing handling of different storage locatios of work packages 2025-09-04 14:19:54 +02:00
Max Lübke
470a89c06c formatting MasterFunctions.cpp 2025-09-04 13:54:43 +02:00
Max Lübke
0259129024 stuff in computeStats 2025-09-02 13:05:47 +02:00
Max Lübke
0255f2aae4 Add fgcs dolo benchmark 2025-09-02 12:04:38 +02:00
Max Lübke
eb57db6905 rename control work package and subsitute interpolated work package 2025-09-02 11:03:33 +02:00
rastogi
a27af6ec7f Initial control-loop setup. Unit tests for MAPE and RMSE added. 
Note: computeStats function is not working correctly yet.
 2025-09-01 12:54:24 +02:00
rastogi
02a7d4d93a computeStats not working correctly, Unit Tests added 2025-09-01 12:39:01 +02:00
Max Lübke
43c172cf40 feat: Implement checkpointing 
Co-authored-by: hmars-t <hmars-t@users.noreply.github.com>
 2025-08-01 11:27:25 +02:00
rastogi
7505c30952 Initial commit 2025-08-01 11:09:59 +02:00
Max Lübke
92d6044e97 Merge branch 'ml/add-build-type-to-readme' into 'main' 
Add CMake Build Type to Readme

See merge request naaice/poet!53
 2025-05-20 14:29:00 +02:00
Max Lübke
77ccd11220 Add CMake Build Type to Readme 2025-05-20 14:28:45 +02:00
Marco De Lucia
ccd54aaa09 Merge branch '17-new-barite-benchmarks-for-fgcs-journal' into 'main' 
Resolve "New barite benchmarks for FGCS journal"

Closes #17

See merge request naaice/poet!44
 2025-05-19 12:50:30 +02:00
Max Lübke
66d908b548 fix: Correct boolean conversion in DHT hook call 2025-03-12 10:35:23 +01:00
Hannes Martin Signer
a4bf2a13f9 Merge branch 'ml/add-tug-solver-option' into 'main' 
Add option to toggle tug numerical solver approach

See merge request naaice/poet!50
 2025-01-29 16:17:52 +01:00
Max Luebke
85e93955bc Add option to toggle tug numerical solver approach 2025-01-29 15:53:32 +01:00
Max Lübke
5a7779e8de refactor: clean up CMakeLists.txt by removing unnecessary target_sources indentation 2025-01-09 12:18:13 +01:00
Max Lübke
bcab85c331 feat: add index tracking and flushing functionality to DHT 2025-01-09 12:18:05 +01:00
Max Lübke
dffbec674c Merge branch '17-new-barite-benchmarks-for-fgcs-journal' of git.gfz-potsdam.de:naaice/poet into 17-new-barite-benchmarks-for-fgcs-journal 2024-12-20 10:12:51 +01:00
Max Lübke
2df3f9f34a [wip] add input validation for work_package in DHT_Wrapper and InterpolationModule 2024-12-20 10:12:19 +01:00
Max Lübke
cefea926cf fix: update grid dimensions and refine species definitions in barite_fgcs_2.R 2024-12-20 10:08:07 +01:00
Marco De Lucia
b93cdeed83 Fancier benchmark for fgcs paper 2024-12-20 10:08:07 +01:00
Max Lübke
8b7e3e983e Merge branch 'hotfix-qs-option' into 'main' 
fix: remove duplicate flag for saving output as .qs file in parseInitValues

See merge request naaice/poet!49
 2024-12-20 10:07:21 +01:00
Max Lübke
a14095622f fix: remove duplicate flag for saving output as .qs file in parseInitValues 2024-12-20 10:05:49 +01:00
Marco De Lucia
554d501ed0 Fancier benchmark for fgcs paper 2024-12-20 09:24:19 +01:00
Max Lübke
ab01dbc0a7 Merge branch 'ml/fix-interpolation' into 'main' 
Fix Interpolation and add optional features to POET benchmark description

See merge request naaice/poet!48
 2024-12-20 09:23:44 +01:00
Max Lübke
eb384b48c0 Merge branch 'main' into 'ml/fix-interpolation' 
# Conflicts:
#   src/initializer.cpp
#   src/poet.cpp
#   src/poet.hpp.in
 2024-12-20 09:22:55 +01:00
Max Lübke
e34c2ef464 fix: initialize default values for RuntimeParameters in poet.hpp.in 2024-12-20 09:21:18 +01:00
Max Lübke
d5a70a20bb fix: update dht_species values for barite and celestite in benchmark scripts 2024-12-20 09:21:18 +01:00
Max Lübke
a718c3efaf Revert "feat: make output of H(0) and O(0) optional" 
This reverts commit bdb5ce944fd001cb36c8369d8c792f2f4a54c7be.
 2024-12-20 09:21:18 +01:00
Max Lübke
5664153cf9 fix: handle zero distance case in inverseDistanceWeighting to prevent division by zero 2024-12-20 09:21:18 +01:00
Max Lübke
6ab404eefd feat: add with_h0_o0 and with_redox parameters to ChemistryModule and related classes 2024-12-20 09:21:18 +01:00
Max Luebke
e5588a2ee9 feat: add support for redox in PhreeqcMatrix initialization 2024-12-20 09:21:18 +01:00
Max Lübke
6fb226887e feat: enhance LookupKey with const isnan method and comparison operator 2024-12-20 09:21:18 +01:00
Max Lübke
521937a527 refactor: streamline WorkPackage constructor and improve DHT_Wrapper::fillDHT logic 2024-12-20 09:21:17 +01:00
Max Luebke
d661da13bd feat: add dht_snaps and dht_out_dir parameters to ChemistryModule and main function 2024-12-20 09:21:17 +01:00
Max Luebke
06728bc28b fix: initialize includeH0O0 to false in command line options 2024-12-20 09:21:17 +01:00
Max Luebke
c5b0ae201c feat: make output of H(0) and O(0) optional 2024-12-20 09:21:17 +01:00
Max Lübke
ac96f24a33 feat: add has_het_ids parameter to DHT initialization and related functions 2024-12-20 09:21:17 +01:00
Max Lübke
9b9fd898b7 fix: use const reference for to_calc in InterpolationModule to improve performance 2024-12-20 09:21:17 +01:00