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Author	SHA1	Message	Date
Marco De Lucia	22ef6f22fb	Update README.md	2024-09-12 14:51:44 +02:00
Max Lübke	ec241be873	refactor: Rework deferred R function evaluation ... applied commit fix: Unique pointer behaviour of `global_rt_setup` was messed up	2024-09-12 14:48:05 +02:00
Marco De Lucia	42089f2282	fixed initializer. Format is given by extension in the -o argument	2024-09-12 14:42:59 +02:00
Marco De Lucia	7f761e802f	feat: fast serialization/storage using qs package via --qs flag ... rebasing/merging	2024-09-12 14:42:24 +02:00
Marco De Lucia	214f9f87b7	cosmetic fixes in DiffusionInit.cpp	2024-09-12 12:37:49 +02:00
Marco De Lucia	6eab2a72eb	fix: removed Time-stamp lines from README and CMake/ ... Solve conflict	2024-09-12 12:37:28 +02:00
Marco De Lucia	4e73e9a3a6	fix: removed all Time-stamp lines from src/	2024-09-12 12:36:40 +02:00
Marco De Lucia	e91eefe973	fixing stuff and adding comments	2024-09-12 12:36:40 +02:00
Marco De Lucia	757dd46275	Switched default bench init storage to qs	2024-09-12 12:36:40 +02:00
Marco De Lucia	14a0ac0325	Fixing rebase conflicts	2024-09-12 12:36:11 +02:00
Marco De Lucia	9ff7a6bdaf	Update README.md	2024-09-12 11:40:03 +02:00
Max Lübke	afcb42bcaa	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	7f1330c1ca	fixed initializer. Format is given by extension in the -o argument	2024-09-12 11:40:03 +02:00
Marco De Lucia	cec00c841b	feat: fast serialization/storage using qs package via --qs flag	2024-09-12 11:39:44 +02:00
Max Lübke	942cd92afc	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	b0e9b2f597	chore: remove preprocessed file from project structure	2024-08-29 14:25:37 +02:00
Max Lübke	1fbc7229e2	chore: Remove unnecessary code in FindRRuntime.cmake	2024-08-29 14:25:37 +02:00
Max Lübke	794bb4ce2c	doc: Update R package installation process for AI surrogate	2024-08-29 14:25:37 +02:00
Max Lübke	b037359db9	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	9982fbe113	Update subproject commit reference	2024-08-29 08:35:17 +02:00
Max Lübke	73baac931e	fix: distribute species names across all processes	2024-08-29 08:35:11 +02:00
hans	1f91e4c196	Fix: merge issues	2024-06-05 16:43:33 +02:00
hans	92339342dc	Merge branch 'ai-surrogate-v03-temp' into ai_surrogate_merge	2024-06-05 16:02:30 +02:00
hans	91b99066be	Merge branch 'origin/ai-surrogate-v03-temp-mdl' into ai_surrogate_merge	2024-06-05 15:59:00 +02:00
hans	d7832d8fa6	fix: reserve vs resize in Worker	2024-06-05 15:54:19 +02:00
hans	e5d257a24d	fix: wp_start_index in Worker	2024-05-31 11:45:19 +02:00
hans	122aa963a4	fix: wp_start_index in Worker	2024-05-31 11:26:50 +02:00
Marco De Lucia	59c3eb9fbd	MDL: AI model seems correctly updated/stored	2024-05-30 13:37:28 +02:00
hans	7e79cf0c70	docs: updated graphic	2024-05-30 13:30:43 +02:00
hans	7b1c4d63f3	docs: updated graphic	2024-05-30 13:30:10 +02:00
hans	6274f98bea	docs: updated graphic	2024-05-30 13:28:48 +02:00
Hans Straile	7785e4846d	Update 0230720_Scheme_POET_en.svg	2024-05-30 13:25:15 +02:00
hans	a3a643577a	docs: updated docs for v03	2024-05-30 13:20:50 +02:00
Marco De Lucia	5b48ccb21b	MDL: added barite_50ai bench	2024-05-30 11:37:31 +02:00
Marco De Lucia	6238335b4d	MDL: some fixes and some more output to make AI run	2024-05-30 11:32:08 +02:00
hans	a526543cb7	feat: Add AI Surrogate functions to V.03	2024-05-27 15:22:29 +02:00
hans	675a95e374	feat: Add AI Surrogate functions to V.03	2024-05-27 09:09:01 +02:00
Max Lübke	6d2d053eac	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	9099cf1d1f	chore: Update subproject commit in ext/iphreeqc	2024-05-07 09:52:31 +00:00
Max Lübke	8e542db8b9	fix: Correct logic for updating output values in WorkerRunWorkPackage	2024-05-07 08:34:18 +00:00
Max Lübke	c8e2e55c7e	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	717148a93c	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	43068f5159	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	1614e25ead	Refactor CI/CD pipeline	2024-05-06 13:17:39 +02:00
Max Lübke	cc45bbc191	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	4a544d1be0	Update Readme	2024-05-06 10:09:28 +00:00
Max Lübke	8bba4f31ea	Add EGU debug model	2024-05-06 10:09:28 +00:00
Max Lübke	21dcbd14d4	BREAKING CHANGE: Enable Surface/Exchange using new API of PhreeqcEngine	2024-05-06 10:01:57 +00:00
Max Luebke	60c3e67a5a	Fix build process to only produce benchmarks when needed	2024-04-15 09:10:11 +00:00
Max Lübke	4e74eeef8b	Fix grid size assignment in GridInit.cpp	2024-04-12 12:35:43 +00:00