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Author	SHA1	Message	Date
Max Lübke	dcd07e4e92	doc: Update R package installation process for AI surrogate	2024-08-29 14:25:37 +02:00
Max Lübke	29808025d8	Merge branch 'ml/fix-dht' into 'main' ... fix: Error during DHT usage See merge request naaice/poet!32	2024-08-29 08:47:45 +02:00
Max Lübke	45bd7acbe1	Update subproject commit reference	2024-08-29 08:35:17 +02:00
Max Lübke	cc943371a1	fix: distribute species names across all processes	2024-08-29 08:35:11 +02:00
hans	a65f4992ae	Fix: merge issues	2024-06-05 16:43:33 +02:00
hans	31da6843b4	Merge branch 'ai-surrogate-v03-temp' into ai_surrogate_merge	2024-06-05 16:02:30 +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	dcfe2c58db	fix: reserve vs resize in Worker	2024-06-05 15:54:19 +02:00
hans	562026a12a	fix: wp_start_index in Worker	2024-05-31 11:45:19 +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	25df2df5b3	docs: updated graphic	2024-05-30 13:30:43 +02:00
hans	7201506e73	docs: updated graphic	2024-05-30 13:30:10 +02:00
hans	cafefe2ba5	docs: updated graphic	2024-05-30 13:28:48 +02:00
Hans Straile	545a269c75	Update 0230720_Scheme_POET_en.svg	2024-05-30 13:25:15 +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
Marco De Lucia	69ebc516ba	MDL: some fixes and some more output to make AI run	2024-05-30 11:32:08 +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	f5f2cb4b9c	Merge branch 'ml/fix-chemistry' into 'main' ... Fix chemistry See merge request naaice/poet!30 v0.3	2024-05-07 12:30:13 +02:00
Max Lübke	e79881d9c5	chore: Update subproject commit in ext/iphreeqc	2024-05-07 09:52:31 +00:00
Max Lübke	44775ea018	fix: Correct logic for updating output values in WorkerRunWorkPackage	2024-05-07 08:34:18 +00:00
Max Lübke	4da95e385b	Merge branch 'ml/build' into 'main' ... Update CMakeLists.txt to conditionally add the bench subdirectory based on the... See merge request naaice/poet!29	2024-05-06 13:27:27 +02:00
Max Lübke	d399ca8190	Update CMakeLists.txt to conditionally add the bench subdirectory based on the POET_PREPROCESS_BENCHS option	2024-05-06 11:26:13 +00:00
Max Lübke	22458b41f4	Merge branch 'ml/ci' into 'main' ... Refactor CI/CD pipeline See merge request naaice/poet!28	2024-05-06 13:17:40 +02:00
Max Lübke	aec3d8f63a	Refactor CI/CD pipeline	2024-05-06 13:17:39 +02:00
Max Lübke	74bafca4b8	Merge branch 'ml/surfex' into 'main' ... Enable Surfex/Exchange reactants using IPhreeqc/POET API See merge request naaice/poet!27	2024-05-06 12:11:50 +02:00
Max Lübke	2e265443b9	Update Readme	2024-05-06 10:09:28 +00:00
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 Lübke	6d36dd7a2e	Refactor R_lib/kin_r_library.R to use setup$maxiter instead of iter for calculating max digits	2024-04-10 10:24:00 +00:00
Max Lübke	7ee438b667	Remove doctest submodule	2024-04-10 10:24:00 +00:00
Max Lübke	f4661a591c	Fix diffusion and chem field update order in RunMasterLoop	2024-04-10 10:24:00 +00:00
Max Lübke	103b26a097	Refactor process to output as DataFrames	2024-04-10 10:24:00 +00:00
Max Lübke	f2c5caf307	Refactor R package dependencies in Dockerfile	2024-04-09 08:09:47 +00:00
Max Luebke	e27ce205fb	Add minimal flag to importList function in InitialList	2024-04-08 20:47:38 +00:00
Max Luebke	8856825c23	Refactor Field.cpp to use Rcpp DataFrame for conversion to SEXP	2024-04-08 20:31:36 +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	7febb31bf9	Refactor command line argument handling and improve script sourcing in initializer.cpp	2024-04-08 12:49:58 +00:00
Max Luebke	c9ff062514	Refactor initializer.cpp to handle command line arguments and improve script sourcing	2024-04-08 12:02:47 +00:00
Max Luebke	62e734e0d5	Refactor code for grid creation and result storage	2024-04-08 11:27:06 +00:00
Max Luebke	3ea3412516	Fix inner_boundaries handling in DiffusionModule and InitialList	2024-04-08 10:32:00 +00:00
Max Luebke	8d64c83123	Update minimum required CMake version to 3.14	2024-04-08 10:31:47 +00:00
Max Luebke	fa916cc66e	Refactor code according to static analyzers	2024-04-08 09:19:48 +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