71 Commits

Author	SHA1	Message	Date
straile	51b3608b68	feat: C++ kmeans	2024-10-25 13:20:01 +02:00
straile	2f0b84bb3e	fix: lock mutex before signal to end program	2024-10-23 18:25:32 +02:00
straile	997ae32092	refactor: pre/postprocess as separate functions	2024-10-19 18:44:44 +02:00
straile	f746a566cc	timekeeping & a lot else	2024-10-19 18:29:41 +02:00
straile	a1c954df43	refactor: get training data targets directly from state_C	2024-10-19 14:43:31 +02:00
straile	29858bb6d5	fix: mutex around 'start_training' when filling training buffer	2024-10-18 17:51:38 +02:00
straile	50f820dc94	docs: CUDA found message	2024-10-17 10:51:49 +02:00
straile	589773731a	feat: ai surrogate inference time keeping	2024-10-16 15:59:04 +02:00
straile	7ae203c7dc	feat: disable training via input script	2024-10-15 15:35:27 +02:00
straile	b127fbe7b3	fix: tenacious double free error at end of program	2024-10-15 12:27:41 +02:00
straile	a4a1eedcac	fWF	2024-10-15 11:36:12 +02:00
straile	8691370abb	Eigen model works	2024-10-15 11:17:30 +02:00
straile	74cd827c68	what is the problem?	2024-10-14 19:58:34 +02:00
hans	5bfb95c2fc	feat: training data buffer size defaults to field size	2024-10-12 17:58:51 +02:00
hans	a289fc7790	feat: option to save current ai model after training	2024-10-12 16:04:24 +02:00
straile	0017a20e82	docs: update descriptions of ai surrogate options and parameters	2024-10-11 12:34:43 +02:00
straile	84c86a85f5	Feat: AI Surrogate inference (with Keras or C++) and parallel training	2024-10-11 11:25:00 +02:00
straile	c2535b03a7	Feat: Conditional waiting and training data buffer	2024-10-10 20:11:52 +02:00
straile	0bf51d0f02	Fix: Eigen double free	2024-10-10 14:17:28 +02:00
straile	3464ada1f1	Docs: Description of Buid flag	2024-10-09 17:33:12 +02:00
straile	d839ae4d5e	Validate predictions	2024-10-09 17:23:14 +02:00
straile	e2d96ca9b6	Feat: Build flag for AI surrogate	2024-10-09 15:25:03 +02:00
straile	a0fe891f99	Eigen inference but slow	2024-10-07 22:01:29 +02:00
straile	394e7caa49	Python prediction	2024-10-07 13:40:43 +02:00
straile	c0456e2f14	Removing AI surrogate R lib	2024-10-07 10:01:37 +02:00
straile	b4b4d76c74	Include Python.h	2024-10-07 09:50:42 +02:00
Max Luebke	0f6ff06c4a	feat: use CLI11 as argument parser ... feat: improve poet_initializer	2024-09-16 11:57:00 +02:00
Marco De Lucia	1e14ba6d69	fixed damn source_R	2024-09-12 16:15:21 +02:00
Marco De Lucia	63a4918313	fix: removed all Time-stamp lines from src/	2024-09-12 14:56:09 +02:00
Marco De Lucia	fc7a78be54	Fixes in README and poet.cpp	2024-09-12 14:53:58 +02:00
Max Lübke	962f6dbbdd	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	ddf8e97ebe	fixed initializer. Format is given by extension in the -o argument	2024-09-12 14:42:59 +02:00
Marco De Lucia	1b9906ddbf	feat: fast serialization/storage using qs package via --qs flag ... rebasing/merging	2024-09-12 14:42:24 +02:00
Marco De Lucia	80fc755ceb	fix: removed all Time-stamp lines from src/	2024-09-12 12:36:40 +02:00
Marco De Lucia	04958194c4	Fixing rebase conflicts	2024-09-12 12:36:11 +02:00
Max Lübke	9122e51980	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	fec92ad3d3	fixed initializer. Format is given by extension in the -o argument	2024-09-12 11:40:03 +02:00
Marco De Lucia	8d0be5ae0d	feat: fast serialization/storage using qs package via --qs flag	2024-09-12 11:39:44 +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	742ac96406	Merge branch 'origin/ai-surrogate-v03-temp-mdl' into ai_surrogate_merge	2024-06-05 15:59:00 +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	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	480dd146f4	BREAKING CHANGE: Enable Surface/Exchange using new API of PhreeqcEngine	2024-05-06 10:01:57 +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 Luebke	e27ce205fb	Add minimal flag to importList function in InitialList	2024-04-08 20:47:38 +00:00