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Author	SHA1	Message	Date
Marco De Lucia	2e1ea7f9c5	fix: removed Time-stamp lines from README and CMake/ ... Solve conflict	2024-09-12 12:37:28 +02:00
Marco De Lucia	4be947e5f2	fix: removed all Time-stamp lines from src/	2024-09-12 12:36:40 +02:00
Marco De Lucia	c39d40dc45	fixing stuff and adding comments	2024-09-12 12:36:40 +02:00
Marco De Lucia	f15eb084d0	Switched default bench init storage to qs	2024-09-12 12:36:40 +02:00
Marco De Lucia	2e115c865b	Fixing rebase conflicts	2024-09-12 12:36:11 +02:00
Marco De Lucia	e7c0f6cc49	Update README.md	2024-09-12 11:40:03 +02:00
Max Lübke	eee1f0d689	refactor: Rework deferred R function evaluation ... fix: Unique pointer behaviour of `global_rt_setup` was messed up	2024-09-12 11:40:03 +02:00
Marco De Lucia	d35a9a6d95	fixed initializer. Format is given by extension in the -o argument	2024-09-12 11:40:03 +02:00
Marco De Lucia	4090c0a78f	feat: fast serialization/storage using qs package via --qs flag	2024-09-12 11:39:44 +02:00
Max Lübke	1210bdf487	Merge branch 'ml/chore' into 'main' ... chore: Update README and cleanup See merge request naaice/poet!33	2024-08-29 14:26:13 +02:00
Max Lübke	9119504dcb	chore: remove preprocessed file from project structure	2024-08-29 14:25:37 +02:00
Max Lübke	23b4182a97	chore: Remove unnecessary code in FindRRuntime.cmake	2024-08-29 14:25:37 +02:00
Max Lübke	ee92c75330	doc: Update R package installation process for AI surrogate	2024-08-29 14:25:37 +02:00
Max Lübke	3d9e6ae13d	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	1f9ffe999f	Update subproject commit reference	2024-08-29 08:35:17 +02:00
Max Lübke	e25ebfffdb	fix: distribute species names across all processes	2024-08-29 08:35:11 +02:00
hans	b125016dab	Fix: merge issues	2024-06-05 16:43:33 +02:00
hans	c2ee1a7f04	Merge branch 'ai-surrogate-v03-temp' into ai_surrogate_merge	2024-06-05 16:02:30 +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	efea0d5c19	fix: reserve vs resize in Worker	2024-06-05 15:54:19 +02:00
hans	692c47781e	fix: wp_start_index in Worker	2024-05-31 11:45:19 +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	330fcc897c	docs: updated graphic	2024-05-30 13:30:43 +02:00
hans	e8dabdcfe2	docs: updated graphic	2024-05-30 13:30:10 +02:00
hans	f452ee3d81	docs: updated graphic	2024-05-30 13:28:48 +02:00
Hans Straile	9bf3c058df	Update 0230720_Scheme_POET_en.svg	2024-05-30 13:25:15 +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
Marco De Lucia	d00369def7	MDL: some fixes and some more output to make AI run	2024-05-30 11:32:08 +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	e3633b4485	Merge branch 'ml/fix-chemistry' into 'main' ... Fix chemistry See merge request naaice/poet!30	2024-05-07 12:30:13 +02:00
Max Lübke	365017d811	chore: Update subproject commit in ext/iphreeqc	2024-05-07 09:52:31 +00:00
Max Lübke	282282e8b6	fix: Correct logic for updating output values in WorkerRunWorkPackage	2024-05-07 08:34:18 +00:00
Max Lübke	c660d5f117	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	9ac57682f1	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	9addc002a2	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	41fbd44c52	Refactor CI/CD pipeline	2024-05-06 13:17:39 +02:00
Max Lübke	8cab722ae3	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	0992143be5	Update Readme	2024-05-06 10:09:28 +00:00
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 Lübke	546f6fadbe	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	47a6a14100	Remove doctest submodule	2024-04-10 10:24:00 +00:00
Max Lübke	b3fd383674	Fix diffusion and chem field update order in RunMasterLoop	2024-04-10 10:24:00 +00:00
Max Lübke	32f7f5af70	Refactor process to output as DataFrames	2024-04-10 10:24:00 +00:00
Max Lübke	721388ae12	Refactor R package dependencies in Dockerfile	2024-04-09 08:09:47 +00:00