73 Commits

Author	SHA1	Message	Date
Max Lübke	fe8f2f1edf	fix: Correct boolean conversion in DHT hook call	2025-03-12 10:35:23 +01:00
Max Lübke	db2f6cc71e	fix: update grid dimensions and refine species definitions in barite_fgcs_2.R	2024-12-20 10:08:07 +01:00
Marco De Lucia	ed27e0d4cc	Fancier benchmark for fgcs paper	2024-12-20 10:08:07 +01:00
Max Lübke	cfea048fdb	fix: update dht_species values for barite and celestite in benchmark scripts	2024-12-20 09:21:18 +01:00
Marco De Lucia	5493cf88a9	Added qs2 as new default format	2024-12-20 09:21:15 +01:00
Max Luebke	66fb9e601c	feat: use CLI11 as argument parser ... feat: improve poet_initializer	2024-09-16 11:57:00 +02:00
Marco De Lucia	f15eb084d0	Switched default bench init storage to qs	2024-09-12 12:36:40 +02:00
Max Lübke	9119504dcb	chore: remove preprocessed file from project structure	2024-08-29 14:25:37 +02:00
hans	df6127fbda	Merge branch 'origin/ai-surrogate-v03-temp-mdl' into ai_surrogate_merge	2024-06-05 15:59:00 +02:00
hans	dad82f22ba	fix: wp_start_index in Worker	2024-05-31 11:26:50 +02:00
Marco De Lucia	7f522157d1	MDL: AI model seems correctly updated/stored	2024-05-30 13:37:28 +02:00
hans	4b07880a06	docs: updated docs for v03	2024-05-30 13:20:50 +02:00
Marco De Lucia	b974b96d27	MDL: added barite_50ai bench	2024-05-30 11:37:31 +02:00
hans	99d0b8c70d	feat: Add AI Surrogate functions to V.03	2024-05-27 15:22:29 +02:00
hans	a55a7ae095	feat: Add AI Surrogate functions to V.03	2024-05-27 09:09:01 +02:00
Max Lübke	a12ac2c3d5	Add EGU debug model	2024-05-06 10:09:28 +00:00
Max Lübke	2b69da0c5d	BREAKING CHANGE: Enable Surface/Exchange using new API of PhreeqcEngine	2024-05-06 10:01:57 +00:00
Max Luebke	e7d9afd971	Fix build process to only produce benchmarks when needed	2024-04-15 09:10:11 +00:00
Max Lübke	c101564ee8	Fix grid size assignment in GridInit.cpp	2024-04-12 12:35:43 +00:00
Max Luebke	5182b6aa20	Refactor build file generation	2024-04-08 20:31:36 +00:00
Max Luebke	d53db0d5a5	Refactor benchmark files to current POET input expectations	2024-04-08 20:31:36 +00:00
Max Luebke	9a7b6f0f24	Add dolo_inner benchmark	2024-04-05 08:34:41 +00:00
Max Luebke	e57f7923dd	Move old benchmark files into old subdir ... Move new benchmark files from `het` folder	2024-04-05 08:33:26 +00:00
Max Luebke	3add44ce25	Add functions for checking sign and negativity in dol.pqi and dolo_200.R	2024-04-04 09:27:27 +00:00
Max Lübke	9eeb1502e1	Update iterations and dt values in dolo_200_rt.R	2024-04-03 16:46:50 +02:00
Max Luebke	7655376f89	Update solution parameters in dol.pqi	2024-04-03 14:25:04 +00:00
Max Luebke	465a6595b0	Update runtime and test scripts	2024-04-03 10:46:54 +00:00
Max Lübke	9fb97aeda9	Update units in dol.pqi	2024-04-03 10:59:31 +02:00
Max Lübke	efc1bda554	Update Calcite and Dolomite parameters in dol.pqi	2024-04-03 10:08:37 +02:00
Max Lübke	5f0dc14802	Update out_save in dolo_200_rt.R	2024-04-03 10:08:02 +02:00
Max Luebke	9b38cd2dc1	Add check_sign_cal_dol_dht and fuzz_input_dht_keys functions	2024-04-02 20:35:28 +00:00
Max Luebke	47aa43d1e1	Add DHT functionality, still need to be validated	2024-04-02 14:14:19 +00:00
Max Luebke	082a758f18	Add chemistry initialization to InitialList class	2024-04-02 12:06:55 +00:00
Max Luebke	bd4d7a38ca	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	38a631f0ab	Add Basic heterogeneous diffusion functionality	2024-03-27 20:34:48 +00:00
Max Luebke	ce2f9e237f	Update grid and diffusion setup in test.R	2024-03-19 22:03:22 +00:00
Max Luebke	f7a4bcd0aa	Update CMakeLists.txt and add new files for barite_het simulation	2024-03-13 17:11:53 +01:00
Max Lübke	e5ed6f9f87	Fix broken Dolo large benchmark ... Update surfex to a larger grid size	2024-03-01 12:57:42 +01:00
Max Lübke	ee0bd9167c	Update initial and boundary conditions for dolo large model	2024-02-26 12:34:42 +01:00
Marco De Lucia	0b14de480b	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	433f095f58	Update file dolo_interp_long.R	2023-11-21 16:25:50 +01:00
Marco De Lucia	2b896fa070	docs: README for surfex bench	2023-08-26 18:39:50 +02:00
Marco De Lucia	e9ce4eeb1d	fix: stdout time for diffusion step. Fixes in READMEs	2023-08-26 17:34:21 +02:00
Marco De Lucia	bd5be576a7	docs: readmes for dolo & barite	2023-08-26 17:22:22 +02:00
Marco De Lucia	f0c9c3ea71	ICs, BCs, fixes	2023-08-26 14:24:26 +02:00
Marco De Lucia	b86931bffe	refs, eqs and text	2023-08-26 13:55:06 +02:00
Marco De Lucia	dbb25dc0af	more eqs and text	2023-08-26 13:41:00 +02:00
Marco De Lucia	a8d23a9563	eqs and text	2023-08-26 13:10:17 +02:00
Marco De Lucia	44c6e45fef	some fixes	2023-08-26 12:50:12 +02:00
Marco De Lucia	3c530a68d0	Revert "Update file README.org" ... This reverts commit 79ef735be72bfa3461efbef9c1b2b80af0d177f6	2023-08-26 12:49:31 +02:00