Max Lübke
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429ad162a0
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data: add fgcs dolomite w/ interpolation data
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2025-12-08 09:00:47 +01:00 |
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Max Lübke
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7b6a084123
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feat: add Mg and Cl concentrations to SOLUTION 1 in dolo_fgcs.pqi
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2025-12-08 09:00:45 +01:00 |
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Max Lübke
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02758d5c94
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feat: add benchmark simulation for barite and update species configuration
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2025-12-08 09:00:45 +01:00 |
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Max Lübke
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1d65d68ae1
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feat: add simulation data for barite_fgcs_4
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2025-10-30 23:19:52 +01:00 |
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Max Lübke
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8de92a736e
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feat: add simulation data for dolo_fgcs_3
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2025-10-30 15:06:24 +01:00 |
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Max Lübke
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bd0f0918ee
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feat: Add LFS configuration for .qs2 files
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2025-10-30 15:04:56 +01:00 |
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Max Lübke
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ff4c9194d2
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fix: Correct duplicate assignment in out_save variable
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2025-10-30 08:53:38 +01:00 |
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Max Lübke
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cfeca0eca6
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feat: Add FGCS benchmark configuration and dependencies
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2025-10-30 08:42:22 +01:00 |
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Max Lübke
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890f9469e6
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feat: Add initial configuration files for FGCS simulation
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2025-10-30 08:42:22 +01:00 |
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Max Lübke
|
9f8567f364
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feat: Add fgcs dolo benchmark
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2025-10-30 08:42:13 +01:00 |
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Max Lübke
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fa52d4517e
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feat: Add barite_fgcs_4 simulation setup and runtime file
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2025-10-30 08:39:23 +01:00 |
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Max Lübke
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92d6044e97
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Merge branch 'ml/add-build-type-to-readme' into 'main'
Add CMake Build Type to Readme
See merge request naaice/poet!53
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2025-05-20 14:29:00 +02:00 |
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Max Lübke
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77ccd11220
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Add CMake Build Type to Readme
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2025-05-20 14:28:45 +02:00 |
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Marco De Lucia
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ccd54aaa09
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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
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2025-05-19 12:50:30 +02:00 |
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Max Lübke
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66d908b548
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fix: Correct boolean conversion in DHT hook call
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2025-03-12 10:35:23 +01:00 |
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Hannes Martin Signer
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a4bf2a13f9
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Merge branch 'ml/add-tug-solver-option' into 'main'
Add option to toggle tug numerical solver approach
See merge request naaice/poet!50
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2025-01-29 16:17:52 +01:00 |
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Max Luebke
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85e93955bc
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Add option to toggle tug numerical solver approach
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2025-01-29 15:53:32 +01:00 |
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Max Lübke
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5a7779e8de
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refactor: clean up CMakeLists.txt by removing unnecessary target_sources indentation
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2025-01-09 12:18:13 +01:00 |
|
Max Lübke
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bcab85c331
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feat: add index tracking and flushing functionality to DHT
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2025-01-09 12:18:05 +01:00 |
|
Max Lübke
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dffbec674c
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Merge branch '17-new-barite-benchmarks-for-fgcs-journal' of git.gfz-potsdam.de:naaice/poet into 17-new-barite-benchmarks-for-fgcs-journal
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2024-12-20 10:12:51 +01:00 |
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Max Lübke
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2df3f9f34a
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[wip] add input validation for work_package in DHT_Wrapper and InterpolationModule
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2024-12-20 10:12:19 +01:00 |
|
Max Lübke
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cefea926cf
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fix: update grid dimensions and refine species definitions in barite_fgcs_2.R
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2024-12-20 10:08:07 +01:00 |
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Marco De Lucia
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b93cdeed83
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Fancier benchmark for fgcs paper
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2024-12-20 10:08:07 +01:00 |
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Max Lübke
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8b7e3e983e
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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
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2024-12-20 10:07:21 +01:00 |
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Max Lübke
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a14095622f
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fix: remove duplicate flag for saving output as .qs file in parseInitValues
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2024-12-20 10:05:49 +01:00 |
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Marco De Lucia
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554d501ed0
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Fancier benchmark for fgcs paper
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2024-12-20 09:24:19 +01:00 |
|
Max Lübke
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ab01dbc0a7
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Merge branch 'ml/fix-interpolation' into 'main'
Fix Interpolation and add optional features to POET benchmark description
See merge request naaice/poet!48
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2024-12-20 09:23:44 +01:00 |
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Max Lübke
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eb384b48c0
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Merge branch 'main' into 'ml/fix-interpolation'
# Conflicts:
# src/initializer.cpp
# src/poet.cpp
# src/poet.hpp.in
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2024-12-20 09:22:55 +01:00 |
|
Max Lübke
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e34c2ef464
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fix: initialize default values for RuntimeParameters in poet.hpp.in
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2024-12-20 09:21:18 +01:00 |
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Max Lübke
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d5a70a20bb
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fix: update dht_species values for barite and celestite in benchmark scripts
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2024-12-20 09:21:18 +01:00 |
|
Max Lübke
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a718c3efaf
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Revert "feat: make output of H(0) and O(0) optional"
This reverts commit bdb5ce944fd001cb36c8369d8c792f2f4a54c7be.
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2024-12-20 09:21:18 +01:00 |
|
Max Lübke
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5664153cf9
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fix: handle zero distance case in inverseDistanceWeighting to prevent division by zero
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2024-12-20 09:21:18 +01:00 |
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Max Lübke
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6ab404eefd
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feat: add with_h0_o0 and with_redox parameters to ChemistryModule and related classes
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2024-12-20 09:21:18 +01:00 |
|
Max Luebke
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e5588a2ee9
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feat: add support for redox in PhreeqcMatrix initialization
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2024-12-20 09:21:18 +01:00 |
|
Max Lübke
|
6fb226887e
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feat: enhance LookupKey with const isnan method and comparison operator
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2024-12-20 09:21:18 +01:00 |
|
Max Lübke
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521937a527
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refactor: streamline WorkPackage constructor and improve DHT_Wrapper::fillDHT logic
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2024-12-20 09:21:17 +01:00 |
|
Max Luebke
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d661da13bd
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feat: add dht_snaps and dht_out_dir parameters to ChemistryModule and main function
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2024-12-20 09:21:17 +01:00 |
|
Max Luebke
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06728bc28b
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fix: initialize includeH0O0 to false in command line options
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2024-12-20 09:21:17 +01:00 |
|
Max Luebke
|
c5b0ae201c
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feat: make output of H(0) and O(0) optional
|
2024-12-20 09:21:17 +01:00 |
|
Max Lübke
|
ac96f24a33
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feat: add has_het_ids parameter to DHT initialization and related functions
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2024-12-20 09:21:17 +01:00 |
|
Max Lübke
|
9b9fd898b7
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fix: use const reference for to_calc in InterpolationModule to improve performance
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2024-12-20 09:21:17 +01:00 |
|
Max Lübke
|
536ebdd351
|
fix: remove double initialization of dht_enabled in ChemistryModule
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2024-12-20 09:21:17 +01:00 |
|
Max Lübke
|
f6b4ce017a
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feat: implement caching for interpolation calculations and add NaN handling
|
2024-12-20 09:21:16 +01:00 |
|
Max Luebke
|
43d2a846c7
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[wip] fix: add base_totals to SurrogateSetup
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2024-12-20 09:21:16 +01:00 |
|
Marco De Lucia
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dd9cc5e59f
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reverting <format> since gcc < 13 does not support it
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2024-12-20 09:21:16 +01:00 |
|
Marco De Lucia
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2e3de84a90
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Update references to .qs2 in README
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2024-12-20 09:21:16 +01:00 |
|
Marco De Lucia
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3b47b8ac1f
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Update README: qs2 as default output format, gfz.de everywhere
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2024-12-20 09:21:16 +01:00 |
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Marco De Lucia
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0437670e05
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Less and more informative stdout messages
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2024-12-20 09:21:16 +01:00 |
|
Marco De Lucia
|
9f89edd492
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Added qs2 as new default format
|
2024-12-20 09:21:15 +01:00 |
|
Max Lübke
|
347b60c3f3
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Merge branch 'ml/gitlab-ci' into 'main'
Refactor CI pipeline by removing the build stage and adjusting test job dependencies
See merge request naaice/poet!47
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2024-12-20 09:06:18 +01:00 |
|