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478 Commits 14 Branches 10 Tags
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236 Commits

Author SHA1 Message Date
Hannes Signer
d825f33b4f update submodule 2025-12-10 19:52:00 +01:00
Hannes Signer
4c84cb52b3 update build process 2025-12-08 19:06:40 +01:00
Hannes Signer
655a9b493d add copy logic for non-reactive regions 
Co-authored-by: Max Lübke <mluebke@uni-potsdam.de>
 2025-12-08 19:06:00 +01:00
Hannes Signer
3b3ea6e595 add ai adaptations 2025-12-03 17:14:30 +01:00
Max Lübke
21c606f5b5 docs(license): add SPDX identifier to source files 2025-10-24 09:41:25 +02:00
Max Lübke
c8bedaac28 refactor(diffusion): integrate tug::Diffusion solver 2025-10-24 09:41:03 +02:00
Max Lübke
5f2b0cc942 build(deps): update cli11 to v2.5.0 2025-10-24 09:38:26 +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
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
a14095622f fix: remove duplicate flag for saving output as .qs file in parseInitValues 2024-12-20 10:05:49 +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
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
Max Lübke
536ebdd351 fix: remove double initialization of dht_enabled in ChemistryModule 2024-12-20 09:21:17 +01:00
Max Lübke
f6b4ce017a feat: implement caching for interpolation calculations and add NaN handling 2024-12-20 09:21:16 +01:00
Max Luebke
43d2a846c7 [wip] fix: add base_totals to SurrogateSetup 2024-12-20 09:21:16 +01:00
Marco De Lucia
dd9cc5e59f reverting <format> since gcc < 13 does not support it 2024-12-20 09:21:16 +01:00
Marco De Lucia
0437670e05 Less and more informative stdout messages 2024-12-20 09:21:16 +01:00
Marco De Lucia
9f89edd492 Added qs2 as new default format 2024-12-20 09:21:15 +01:00
Marco De Lucia
03385d3caf reverting <format> since gcc < 13 does not support it 2024-12-13 12:14:55 +01:00
Marco De Lucia
a519edd102 Less and more informative stdout messages 2024-12-13 12:14:55 +01:00
Marco De Lucia
61d3a8a227 Added qs2 as new default format 2024-12-13 12:14:55 +01:00
Max Lübke
6c660557fd refactor: Replace PhreeqcEngine instances with PhreeqcRunner for improved chemistry processing 2024-12-04 10:34:13 +00:00
Max Lübke
cdbf344329 fix: Update getSolutionNames call to remove unnecessary argument 2024-11-07 14:22:58 +01:00
Max Lübke
45ea77ae0f Update subproject commit in ext/iphreeqc 2024-11-07 14:22:51 +01:00
Max Luebke
0f6ff06c4a feat: use CLI11 as argument parser 
feat: improve poet_initializer
 2024-09-16 11:57:00 +02:00
Marco De Lucia
1e14ba6d69 fixed damn source_R 2024-09-12 16:15:21 +02:00
Marco De Lucia
91cf9658d2 cosmetic fixes in DiffusionInit.cpp 2024-09-12 14:57:11 +02:00
Marco De Lucia
63a4918313 fix: removed all Time-stamp lines from src/ 2024-09-12 14:56:09 +02:00
Marco De Lucia
492172c26f fixing stuff and adding comments 2024-09-12 14:54:05 +02:00
Marco De Lucia
fc7a78be54 Fixes in README and poet.cpp 2024-09-12 14:53:58 +02:00
Max Lübke
962f6dbbdd refactor: Rework deferred R function evaluation 
applied commit
fix: Unique pointer behaviour of `global_rt_setup` was messed up
 2024-09-12 14:48:05 +02:00
Marco De Lucia
ddf8e97ebe fixed initializer. Format is given by extension in the -o argument 2024-09-12 14:42:59 +02:00
Marco De Lucia
1b9906ddbf feat: fast serialization/storage using qs package via --qs flag 
rebasing/merging
 2024-09-12 14:42:24 +02:00
Marco De Lucia
9090d38f17 cosmetic fixes in DiffusionInit.cpp 2024-09-12 12:37:49 +02:00