14 Commits

Author	SHA1	Message	Date
Max Lübke	1af661527d	feat(grid): enable cell_ID integration in chemistry data flow	2025-09-25 15:08:13 +02:00
Max Lübke	9650e59115	Update subproject commit in ext/iphreeqc	2024-11-07 14:22:51 +01:00
Marco De Lucia	c39d40dc45	fixing stuff and adding comments	2024-09-12 12:36:40 +02:00
hans	a55a7ae095	feat: Add AI Surrogate functions to V.03	2024-05-27 09:09:01 +02:00
Max Lübke	32f7f5af70	Refactor process to output as DataFrames	2024-04-10 10:24:00 +00:00
Max Luebke	fb62fd5a7f	Refactor code for grid creation and result storage	2024-04-08 11:27:06 +00:00
Max Luebke	e891774d6c	Refactor code for grid creation and result storage	2024-04-04 09:27:52 +00:00
Max Luebke	0cf6d65128	Add parallel grid creation function and update pqc_to_grid function	2024-04-03 14:25:04 +00:00
Max Luebke	dc3502685c	Add support for missing species in init grid, which are injected (by boundary condition)	2024-04-03 14:25:04 +00:00
Max Lübke	bbeff06083	Add resolvePqcBound function and refactor parseBoundaries2D function	2024-03-19 15:37:29 +00:00
Max Lübke	822e069492	Refactor pqc_to_grid function to use matrix instead of data.table	2024-03-19 09:47:40 +00:00
Max Luebke	f832a9e0db	Save latest changes, boundaries still missing or incomplete	2024-03-19 08:12:20 +00:00
Max Luebke	87de816f93	Add modify_module_sizes function and modify module_sizes in InitialList class	2024-03-13 23:50:13 +01:00
Max Luebke	3380eb4a8f	Add iphreeqc and init_r_lib submodules, and make necessary changes to CMakeLists.txt and src/initializer.cpp	2024-03-13 16:57:44 +01:00