20 Commits

Author	SHA1	Message	Date
Max Lübke	a718c3efaf	Revert "feat: make output of H(0) and O(0) optional" ... This reverts commit bdb5ce944fd001cb36c8369d8c792f2f4a54c7be.	2024-12-20 09:21:18 +01:00
Max Luebke	c5b0ae201c	feat: make output of H(0) and O(0) optional	2024-12-20 09:21:17 +01:00
Max Lübke	45ea77ae0f	Update subproject commit in ext/iphreeqc	2024-11-07 14:22:51 +01:00
Marco De Lucia	91cf9658d2	cosmetic fixes in DiffusionInit.cpp	2024-09-12 14:57:11 +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	492172c26f	fixing stuff and adding comments	2024-09-12 14:54:05 +02:00
Marco De Lucia	9090d38f17	cosmetic fixes in DiffusionInit.cpp	2024-09-12 12:37:49 +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	23d0ee51d8	fixing stuff and adding comments	2024-09-12 12:36:40 +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	103b26a097	Refactor process to output as DataFrames	2024-04-10 10:24:00 +00:00
Max Luebke	3ea3412516	Fix inner_boundaries handling in DiffusionModule and InitialList	2024-04-08 10:32:00 +00:00
Max Luebke	5cc161e25e	Add inner_boundaries handling in DiffusionModule and InitialList	2024-04-05 08:31:32 +00:00
Max Luebke	38053fd4d0	Add support for missing species in init grid, which are injected (by boundary condition)	2024-04-03 14:25:04 +00:00
Max Lübke	0bfc95bb52	Add Basic heterogeneous diffusion functionality	2024-03-27 20:34:48 +00:00
Max Luebke	a04344e435	Add total_grid_cells to ChemistryInit struct	2024-03-21 22:33:40 +00:00
Max Lübke	793c2bb4ff	Add resolvePqcBound function and refactor parseBoundaries2D function	2024-03-19 15:37:29 +00:00
Max Lübke	ebfa10c236	Update alpha matrix parsing	2024-03-19 14:07:25 +00:00
Max Lübke	badb01b4fe	Refactor initialization code for diffusion and grid	2024-03-19 13:39:59 +00:00
Max Luebke	60c3d7b022	Save latest changes, boundaries still missing or incomplete	2024-03-19 08:12:20 +00:00