73 Commits

Author	SHA1	Message	Date
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
Max Lübke	19429516a9	Update initial and boundary conditions for dolo large model	2024-02-26 12:34:42 +01:00
Marco De Lucia	3f89321e71	fix: updated bench/barite/{barite.R, barite_interp_eval.R}, added bench/barite/barite_200.R	2024-01-12 12:50:54 +01:00
Max Lübke	2204f0f793	Update file dolo_interp_long.R	2023-11-21 16:25:50 +01:00
Marco De Lucia	30e510f8ff	docs: README for surfex bench	2023-08-26 18:39:50 +02:00
Marco De Lucia	9c68f9d979	fix: stdout time for diffusion step. Fixes in READMEs	2023-08-26 17:34:21 +02:00
Marco De Lucia	d32141bed2	docs: readmes for dolo & barite	2023-08-26 17:22:22 +02:00
Marco De Lucia	ce31648c07	ICs, BCs, fixes	2023-08-26 14:24:26 +02:00
Marco De Lucia	b178dbb082	refs, eqs and text	2023-08-26 13:55:06 +02:00
Marco De Lucia	8e9a31a29e	more eqs and text	2023-08-26 13:41:00 +02:00
Marco De Lucia	7b1b247253	eqs and text	2023-08-26 13:10:17 +02:00
Marco De Lucia	273844d073	some fixes	2023-08-26 12:50:12 +02:00
Marco De Lucia	a9a4fe0d0e	Revert "Update file README.org" ... This reverts commit 462cf2f08e7426661b419a2f52bb48287f847d94	2023-08-26 12:49:31 +02:00