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control-loop-proto1

control-loop-proto2

main

mdl/fmt

ml/add_real_barite_benchmark

ml/field_memory

naa-naaice

naaice

naaice-baseline

readme

refac/hd5

serialization-change

tmp-fgcs

wip-selected-output

0.4

archive/hans_ai_surrogate

archive/hans_k_means

archive/iccs2025

archive/ns-daos-diffusion-1

archive/ns-daos-diffusion-2

v0.1

v0.2

v0.2.1

v0.3

d288b6193e Add HDF5 to CMakeLists. Not sure if it is right place naa-naaice Steffen Christgau 2025-12-11 20:52:11 +01:00
2ebff76e9e add pqc_with_redox flag to match experiments with ai surrogate naaice-baseline Hannes Martin Signer 2025-12-11 15:58:01 +01:00
caf35851b5 fix grid update Hannes Signer 2025-12-11 11:13:25 +01:00
0ac85d5db0 update documentation Hannes Signer 2025-12-11 10:58:47 +01:00
53f1416b96 update experiment Hannes Signer 2025-12-11 01:27:47 +01:00
9be9ba2818 add commands for measurements Hannes Signer 2025-12-11 01:12:48 +01:00
a8bf09a730 remove print statement Hannes Signer 2025-12-11 01:01:53 +01:00
950793b73e update weight path Hannes Signer 2025-12-11 00:46:52 +01:00
672e1801cd update installation of weight files Hannes Signer 2025-12-11 00:41:55 +01:00
0d457e1f2a update environment Hannes Signer 2025-12-11 00:32:02 +01:00
67053fc662 copy model weights to install directory Hannes Signer 2025-12-11 00:29:24 +01:00
0a5f7010fe fix cmake for benchmarks Hannes Signer 2025-12-11 00:22:42 +01:00
bb25f6b449 update submodule Hannes Signer 2025-12-10 23:38:06 +01:00
5c5c328b0b remove prints Hannes Signer 2025-12-10 23:36:59 +01:00
3be8cc1cb4 file renaming Hannes Signer 2025-12-10 20:02:59 +01:00
9a329da4b5 Merge branch 'naa-naaice' of git.gfz-potsdam.de:naaice/poet into naa-naaice Hannes Signer 2025-12-10 19:59:28 +01:00
49135615d1 update benchmarks for ai surrogate Hannes Signer 2025-12-10 19:59:15 +01:00
c7d1fc152c run retraining only once Hannes Signer 2025-12-10 19:54:32 +01:00
d825f33b4f update submodule Hannes Signer 2025-12-10 19:52:00 +01:00
26fcecb2bb data: add fgcs dolomite benchmarks that skips unreactive cells ml/add_real_barite_benchmark Max Lübke 2025-12-09 21:26:15 +01:00
c986262bce data: add fgcs dolomite w/ and w/o interpolation data Max Lübke 2025-12-08 09:00:21 +01:00
69828116f3 Sned control flgas after control iteration and enable Cl threshold control-loop-proto1 rastogi 2025-12-10 09:03:11 +01:00
f470c7ad3c Disabled needsFlagBcast control-loop-proto2 rastogi 2025-12-10 01:22:12 +01:00
3f7eab90fe feat: add Mg and Cl concentrations to SOLUTION 1 in dolo_fgcs.pqi Max Lübke 2025-11-28 15:19:49 +01:00
a308d585aa feat: add benchmark simulation for barite and update species configuration Max Lübke 2025-11-28 15:08:36 +01:00
36b6f8d859 Added Cl threshold in WorkerDoWork() rastogi 2025-12-09 16:54:04 +01:00
80c51a14ae Merge branch 'naa-naaice' of git.gfz-potsdam.de:naaice/poet into naa-naaice Marco De Lucia 2025-12-09 14:39:28 +01:00
2bcec73bdf tweaked Cl in barite.pqi Marco De Lucia 2025-12-09 14:39:21 +01:00
be5b42392a feat: interval limit between rollbacks rastogi 2025-12-09 12:48:48 +01:00
6890553a6c update submodule Hannes Signer 2025-12-08 23:46:30 +01:00
ba89c6c641 Merge branch 'naa-naaice' of git.gfz-potsdam.de:naaice/poet into naa-naaice Hannes Signer 2025-12-08 19:16:45 +01:00
4c84cb52b3 update build process Hannes Signer 2025-12-08 19:06:40 +01:00
655a9b493d add copy logic for non-reactive regions Co-authored-by: Max Lübke <mluebke@uni-potsdam.de> Hannes Signer 2025-12-08 19:06:00 +01:00
cf64110dee Added missing parameters to rt file rastogi 2025-12-08 18:01:54 +01:00
a8af28c73a Add _rt.R file to repo rastogi 2025-12-08 17:38:49 +01:00
81aed9826d feat: Added rb_limit, rb_interval_limit and condition for bcasting control flags rastogi 2025-12-08 17:17:26 +01:00
58175dd8e2 Merge branch 'mdl/defaultstorelease' into 'main' main Marco De Lucia 2025-12-06 22:37:17 +01:00
b49065dbc0 update benchmark Hannes Signer 2025-12-05 16:43:33 +01:00
b9fe09d937 remove non relevant benchmarks Hannes Signer 2025-12-05 00:24:10 +01:00
698621097f add conda environment Hannes Martin Signer 2025-12-05 00:01:20 +01:00
cb75c4dc7c update benchmarks Hannes Martin Signer 2025-12-04 20:29:22 +01:00
c69511f7f1 fixed runtime files in naa-naaice/dolo_interp benchmarks Marco De Lucia 2025-12-04 18:02:37 +01:00
66ef8f9a34 Merge branch 'naa-naaice' of git.gfz-potsdam.de:naaice/poet into naa-naaice Marco De Lucia 2025-12-04 17:49:28 +01:00
cb01ce3d67 dolo_interp benchmark for naa-naaice Marco De Lucia 2025-12-04 17:49:16 +01:00
9ab84c3181 add conda environment Hannes Signer 2025-12-03 17:36:22 +01:00
66b92388ba update submodule Hannes Signer 2025-12-03 17:34:52 +01:00
ff6f1ad9bd remove submodule Hannes Signer 2025-12-03 17:31:51 +01:00
7ea41d6f8f update submodules Hannes Signer 2025-12-03 17:20:51 +01:00
3b3ea6e595 add ai adaptations Hannes Signer 2025-12-03 17:14:30 +01:00
83b1389b93 reset .gitmodules Hannes Signer 2025-12-03 17:09:58 +01:00
3a83ca1346 added tiny Cl and Ba concentrations to init in barite.pqi Marco De Lucia 2025-12-03 16:59:34 +01:00
c637f5c787 Add exclusion cond. for Cl rastogi 2025-11-30 17:58:13 +01:00
1de30ad0db added rollback_limit and fixed rollback logic rastogi 2025-11-28 14:18:06 +01:00
97076cb7cd added rb_limit, correctedd updateSurrState logic, added eraly return after rb_limit reached rastogi 2025-11-28 12:58:26 +01:00
ac6bff6b97 Fix control_batch naming, metrics workflow and add R visualization script rastogi 2025-11-27 11:58:12 +01:00
fddef8d01d Fix control_batch naming, metrics workflow and add R visualization script rastogi 2025-11-27 11:56:55 +01:00
9087393f61 Removed extra CHEM cases rastogi 2025-11-25 14:06:30 +01:00
293f04b789 delete wrong submodule path Hannes Signer 2025-11-24 13:30:24 +01:00
636993e22a add submodle for ai functionality and serializing Hannes Signer 2025-11-24 13:28:04 +01:00
92e4414bfa Removed debugging logs, added cell_id to metric data rastogi 2025-11-23 17:27:11 +01:00
5c02308901 added infinity check to MAPE calculation rastogi 2025-11-23 13:40:54 +01:00
10e375831b Updated .gitignore rastogi 2025-11-23 13:39:55 +01:00
2d3b91fbe1 Metrics IO, rollback fixes, CSV writers, HDF5 overwrite rastogi 2025-11-20 18:47:15 +01:00
40ece6cba3 Add HDF5 metrics tracking and fix rollback stabilization controll rastogi 2025-11-20 11:31:23 +01:00
39458561ff Refractor control module for per-cell error tracking and stabilization phase logic rastogi 2025-11-19 12:34:46 +01:00
168cd64770 Updated .gitignore rastogi 2025-11-18 11:36:34 +01:00
d21ef0b070 Updated .gitignore rastogi 2025-11-17 19:49:21 +01:00
a34f7d14b6 Clean up .gitignore rastogi 2025-11-17 19:33:30 +01:00
1ef61cad33 Separate packing of work package outputs into MPI buffer and add worker-side control flush logic rastogi 2025-11-17 19:25:02 +01:00
374671e6f9 Clean up .gitignore rastogi 2025-11-17 19:17:11 +01:00
1cbbc00cdf Merge branch 'mdl/defaultstorelease' into 'main' Marco De Lucia 2025-11-14 19:24:34 +01:00
c8a779ca58 set DEFAULT_BUILD_TYPE to "Release"; defined properties so one cycles through when using ccmake Marco De Lucia 2025-11-14 19:19:07 +01:00
14c08460ad Merge branch 'mdl/readme' into 'main' Marco De Lucia 2025-11-14 15:31:46 +01:00
0dc9352459 Updated README - domain change, litephreeqc Marco De Lucia 2025-11-14 15:28:25 +01:00
9d16b2e92d removed .ai dir from this branch Marco De Lucia 2025-11-14 10:58:43 +01:00
9cd487cc15 Merge branch 'mdl/litephreeqc' into 'main' Max Lübke 2025-11-13 16:45:53 +01:00
04ac4b8b7b ci(gitlab): allow mirror push job to fail Max Lübke 2025-11-13 16:39:06 +01:00
2c813b9e24 build: set path for submodule Max Lübke 2025-11-13 16:35:57 +01:00
1b55f5e651 chore: use git mv to set new path for litephreeqc Max Lübke 2025-11-13 16:31:47 +01:00
746ae15645 chore: rollback submodule path Max Lübke 2025-11-13 16:30:55 +01:00
9066ae942b Chore: New URL and name for litephreeqc in .gitmodules Marco De Lucia 2025-11-13 16:22:21 +01:00
aa76830c5e Stop tracking bin/dolo/ and update .gitignore rastogi 2025-11-12 10:32:12 +01:00
51d78dbb85 updated .gitignore rastogi 2025-11-12 10:25:58 +01:00
28bd24f9f6 Store per-cell MAPE/RRMSE and add stabilization interval rastogi 2025-11-12 10:20:28 +01:00
c3f79ee24f Updated .gitignore rastogi 2025-11-11 17:36:22 +01:00
e27116e922 Updated .gitignore rastogi 2025-11-11 17:31:29 +01:00
7d17c7a8b9 Updated .gitignore rastogi 2025-11-11 17:30:17 +01:00
e5495f586c Update .gitignore, added plotting script rastogi 2025-11-11 00:22:13 +01:00
b17eaf7778 Untrack share/ directory rastogi 2025-11-10 11:04:08 +01:00
dd9f309a49 Updated .gitignore rastogi 2025-11-10 10:58:46 +01:00
6fbeaed12d Fix cell_ID access in DHT/interpolation and restructure control cell metric computation to use row-major layout rastogi 2025-11-07 15:55:26 +01:00
6c5b86cccc feat: Add control logic for surrogate validation with selective PHREEQC re-execution, error metrics (MAPE/RRMSE), and automatic checkpoint/rollback rastogi 2025-11-06 20:55:02 +01:00
f4e846d6dc Enable DHT time measurement rastogi 2025-11-06 11:49:10 +01:00
1b2d942960 feat: bcast control_cell_ids to workers rastogi 2025-11-02 22:26:14 +01:00
b82054eed6 Remove tracked QS2 output files rastogi 2025-11-02 15:59:34 +01:00
c4da5ccfb8 updates to ControlModule and Chemistry rastogi 2025-11-02 15:29:03 +01:00
7c97f29fa6 Added ctrl_cell_ids rastogi 2025-10-30 21:36:03 +01:00
3fb6ca5209 Enabled time measurement rastogi 2025-10-30 16:38:06 +01:00
8c388e3c6c Restructuring prototyp 3 rastogi 2025-10-30 16:15:27 +01:00
8a247082aa Add .gitignore rastogi 2025-10-30 16:14:22 +01:00