85 Commits

Author	SHA1	Message	Date
Hannes Signer	3be8cc1cb4	file renaming	2025-12-10 20:02:59 +01:00
Hannes Signer	9a329da4b5	Merge branch 'naa-naaice' of git.gfz-potsdam.de:naaice/poet into naa-naaice	2025-12-10 19:59:28 +01:00
Hannes Signer	49135615d1	update benchmarks for ai surrogate	2025-12-10 19:59:15 +01:00
Marco De Lucia	80c51a14ae	Merge branch 'naa-naaice' of git.gfz-potsdam.de:naaice/poet into naa-naaice	2025-12-09 14:39:28 +01:00
Marco De Lucia	2bcec73bdf	tweaked Cl in barite.pqi	2025-12-09 14:39:21 +01:00
Hannes Signer	ba89c6c641	Merge branch 'naa-naaice' of git.gfz-potsdam.de:naaice/poet into naa-naaice	2025-12-08 19:16:45 +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
Marco De Lucia	c69511f7f1	fixed runtime files in naa-naaice/dolo_interp benchmarks	2025-12-04 18:02:37 +01:00
Marco De Lucia	66ef8f9a34	Merge branch 'naa-naaice' of git.gfz-potsdam.de:naaice/poet into naa-naaice	2025-12-04 17:49:28 +01:00
Marco De Lucia	cb01ce3d67	dolo_interp benchmark for naa-naaice	2025-12-04 17:49:16 +01:00
Hannes Signer	3b3ea6e595	add ai adaptations	2025-12-03 17:14:30 +01:00
Marco De Lucia	3a83ca1346	added tiny Cl and Ba concentrations to init in barite.pqi	2025-12-03 16:59:34 +01:00
Max Lübke	66d908b548	fix: Correct boolean conversion in DHT hook call	2025-03-12 10:35:23 +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	d5a70a20bb	fix: update dht_species values for barite and celestite in benchmark scripts	2024-12-20 09:21:18 +01:00
Marco De Lucia	9f89edd492	Added qs2 as new default format	2024-12-20 09:21:15 +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	99f2cb5ca0	Switched default bench init storage to qs	2024-09-12 12:36:40 +02:00
Max Lübke	c139c4626f	chore: remove preprocessed file from project structure	2024-08-29 14:25:37 +02:00
hans	742ac96406	Merge branch 'origin/ai-surrogate-v03-temp-mdl' into ai_surrogate_merge	2024-06-05 15:59:00 +02:00
hans	bea250cc88	fix: wp_start_index in Worker	2024-05-31 11:26:50 +02:00
Marco De Lucia	b75b37e0f8	MDL: AI model seems correctly updated/stored	2024-05-30 13:37:28 +02:00
hans	f8864d991a	docs: updated docs for v03	2024-05-30 13:20:50 +02:00
Marco De Lucia	ce4ab918e9	MDL: added barite_50ai bench	2024-05-30 11:37:31 +02:00
hans	53b9479cad	feat: Add AI Surrogate functions to V.03	2024-05-27 15:22:29 +02:00
hans	95cb95998e	feat: Add AI Surrogate functions to V.03	2024-05-27 09:09:01 +02:00
Max Lübke	20a0c453b0	Add EGU debug model	2024-05-06 10:09:28 +00:00
Max Lübke	480dd146f4	BREAKING CHANGE: Enable Surface/Exchange using new API of PhreeqcEngine	2024-05-06 10:01:57 +00:00
Max Luebke	d7c23c6b3c	Fix build process to only produce benchmarks when needed	2024-04-15 09:10:11 +00:00
Max Lübke	e11caba0b3	Fix grid size assignment in GridInit.cpp	2024-04-12 12:35:43 +00:00
Max Luebke	c42b335aae	Refactor build file generation	2024-04-08 20:31:36 +00:00
Max Luebke	a2f04836a4	Refactor benchmark files to current POET input expectations	2024-04-08 20:31:36 +00:00
Max Luebke	e6092c9166	Add dolo_inner benchmark	2024-04-05 08:34:41 +00:00
Max Luebke	a24b4f5f51	Move old benchmark files into old subdir ... Move new benchmark files from `het` folder	2024-04-05 08:33:26 +00:00
Max Luebke	d07cfd3465	Add functions for checking sign and negativity in dol.pqi and dolo_200.R	2024-04-04 09:27:27 +00:00
Max Lübke	2b6f17f18c	Update iterations and dt values in dolo_200_rt.R	2024-04-03 16:46:50 +02:00
Max Luebke	9976538c11	Update solution parameters in dol.pqi	2024-04-03 14:25:04 +00:00
Max Luebke	41b811f048	Update runtime and test scripts	2024-04-03 10:46:54 +00:00
Max Lübke	7aea66387a	Update units in dol.pqi	2024-04-03 10:59:31 +02:00
Max Lübke	13b6cf6549	Update Calcite and Dolomite parameters in dol.pqi	2024-04-03 10:08:37 +02:00
Max Lübke	4468945dec	Update out_save in dolo_200_rt.R	2024-04-03 10:08:02 +02:00
Max Luebke	246fbf4434	Add check_sign_cal_dol_dht and fuzz_input_dht_keys functions	2024-04-02 20:35:28 +00:00
Max Luebke	c667bee7d8	Add DHT functionality, still need to be validated	2024-04-02 14:14:19 +00:00
Max Luebke	b229377adb	Add chemistry initialization to InitialList class	2024-04-02 12:06:55 +00:00
Max Luebke	14b111662d	Add dolo_200_rt.R, dol.pqi, and dolo_200.R files for simulation setup	2024-04-02 11:41:38 +00:00
Max Lübke	0bfc95bb52	Add Basic heterogeneous diffusion functionality	2024-03-27 20:34:48 +00:00
Max Luebke	8cd69bcde4	Update grid and diffusion setup in test.R	2024-03-19 22:03:22 +00:00
Max Luebke	31d09ecc27	Update CMakeLists.txt and add new files for barite_het simulation	2024-03-13 17:11:53 +01:00
Max Lübke	42e740beb9	Fix broken Dolo large benchmark ... Update surfex to a larger grid size	2024-03-01 12:57:42 +01:00