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Author SHA1 Message Date
Max Lübke
85fa04d379 feat(grid): enable cell_ID integration in chemistry data flow 2025-09-25 15:08:13 +02:00
rastogi
f33dcb99f1 feat(control): disable surrogate model after rollback until next iteration 2025-09-21 17:45:12 +02:00
rastogi
882dff4873 rollback implemented, triggered when MAPE exceeds epsilon 2025-09-12 09:47:00 +02:00
Max Lübke
733a13d9d9 cleanup computeStats() 2025-09-04 14:20:08 +02:00
Max Lübke
a4aa788de8 fix mssing handling of different storage locatios of work packages 2025-09-04 14:19:54 +02:00
Max Lübke
f2eaecd1c0 formatting MasterFunctions.cpp 2025-09-04 13:54:43 +02:00
Max Lübke
a9d0850625 stuff in computeStats 2025-09-02 13:05:47 +02:00
Max Lübke
110c755491 Add fgcs dolo benchmark 2025-09-02 12:04:38 +02:00
Max Lübke
afc010f3e4 rename control work package and subsitute interpolated work package 2025-09-02 11:03:33 +02:00
rastogi
d9d105b860 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
c9a8fc8079 computeStats not working correctly, Unit Tests added 2025-09-01 12:39:01 +02:00
Max Lübke
2acdbb910d feat: Implement checkpointing 
Co-authored-by: hmars-t <hmars-t@users.noreply.github.com>
 2025-08-01 11:27:25 +02:00
rastogi
e97623c346 Initial commit 2025-08-01 11:09:59 +02:00
Max Lübke
0b952a725c 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
7e68789af6 Add CMake Build Type to Readme 2025-05-20 14:28:45 +02:00
Marco De Lucia
1af4cda041 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
03948bc614 fix: Correct boolean conversion in DHT hook call 2025-03-12 10:35:23 +01:00
Hannes Martin Signer
075c384c8a 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
d38c0bf4b7 Add option to toggle tug numerical solver approach 2025-01-29 15:53:32 +01:00
Max Lübke
796da7e072 refactor: clean up CMakeLists.txt by removing unnecessary target_sources indentation 2025-01-09 12:18:13 +01:00
Max Lübke
c0071bf447 feat: add index tracking and flushing functionality to DHT 2025-01-09 12:18:05 +01:00
Max Lübke
688bb5ccd1 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
3157c13521 [wip] add input validation for work_package in DHT_Wrapper and InterpolationModule 2024-12-20 10:12:19 +01:00
Max Lübke
edd78163e4 fix: update grid dimensions and refine species definitions in barite_fgcs_2.R 2024-12-20 10:08:07 +01:00
Marco De Lucia
ec3e38e8b5 Fancier benchmark for fgcs paper 2024-12-20 10:08:07 +01:00
Max Lübke
55d2ec534e 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
a1e177fe9b fix: remove duplicate flag for saving output as .qs file in parseInitValues 2024-12-20 10:05:49 +01:00
Marco De Lucia
e7e3e32c61 Fancier benchmark for fgcs paper 2024-12-20 09:24:19 +01:00
Max Lübke
da6f2a7e74 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
7734d13516 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
6d39e559e6 fix: initialize default values for RuntimeParameters in poet.hpp.in 2024-12-20 09:21:18 +01:00
Max Lübke
2768b25a05 fix: update dht_species values for barite and celestite in benchmark scripts 2024-12-20 09:21:18 +01:00
Max Lübke
60298c379c 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
42be5ac36f fix: handle zero distance case in inverseDistanceWeighting to prevent division by zero 2024-12-20 09:21:18 +01:00
Max Lübke
eb09cd2725 feat: add with_h0_o0 and with_redox parameters to ChemistryModule and related classes 2024-12-20 09:21:18 +01:00
Max Luebke
ca5b83012d feat: add support for redox in PhreeqcMatrix initialization 2024-12-20 09:21:18 +01:00
Max Lübke
172c11dd19 feat: enhance LookupKey with const isnan method and comparison operator 2024-12-20 09:21:18 +01:00
Max Lübke
1403ad3a87 refactor: streamline WorkPackage constructor and improve DHT_Wrapper::fillDHT logic 2024-12-20 09:21:17 +01:00
Max Luebke
96778c1d95 feat: add dht_snaps and dht_out_dir parameters to ChemistryModule and main function 2024-12-20 09:21:17 +01:00
Max Luebke
dd29fce7db fix: initialize includeH0O0 to false in command line options 2024-12-20 09:21:17 +01:00
Max Luebke
9553225d35 feat: make output of H(0) and O(0) optional 2024-12-20 09:21:17 +01:00
Max Lübke
2bbe09935b feat: add has_het_ids parameter to DHT initialization and related functions 2024-12-20 09:21:17 +01:00
Max Lübke
201613c551 fix: use const reference for to_calc in InterpolationModule to improve performance 2024-12-20 09:21:17 +01:00
Max Lübke
00ffe84b02 fix: remove double initialization of dht_enabled in ChemistryModule 2024-12-20 09:21:17 +01:00
Max Lübke
7bb103fade feat: implement caching for interpolation calculations and add NaN handling 2024-12-20 09:21:16 +01:00
Max Luebke
6118fbc786 [wip] fix: add base_totals to SurrogateSetup 2024-12-20 09:21:16 +01:00
Marco De Lucia
20529d6ca7 reverting <format> since gcc < 13 does not support it 2024-12-20 09:21:16 +01:00
Marco De Lucia
abcfc637b6 Update references to .qs2 in README 2024-12-20 09:21:16 +01:00
Marco De Lucia
c3bba9472e Update README: qs2 as default output format, gfz.de everywhere 2024-12-20 09:21:16 +01:00
Marco De Lucia
cc6f83b49a Less and more informative stdout messages 2024-12-20 09:21:16 +01:00