13 Commits

Author	SHA1	Message	Date
Max Luebke	1b12899ffb	Selected Output: First prototype with successfull exisiting tests	2025-09-23 13:15:16 +02:00
Marco De Lucia	22e1fae555	MDL/golem: some cosmetic fixes	2025-07-28 20:16:08 +02:00
Marco De Lucia	6864285820	MDL/golem: added bunch of getMatrix* getters and poet/test/testGetters.cpp	2025-07-28 20:02:35 +02:00
Max Lübke	8ec2e55779	feat: Optional redox states of species in solution	2024-12-18 17:12:07 +01:00
Max Luebke	46e166c678	feat: add option to include H(0) and O(0) in PhreeqcMatrix constructor and related functions	2024-12-16 10:22:12 +01:00
Max Luebke	2cdfad0e9f	refactor: reorganize includes and forward declarations in PhreeqcKnobs and PhreeqcMatrix	2024-12-05 18:09:24 +00:00
Max Lübke	d19d0bc695	feat: integrate PhreeqcKnobs into PhreeqcMatrix; add getKnobs method and update Engine initialization	2024-12-03 08:07:15 +00:00
Max Lübke	cb4a64efbb	refactor: remove unused includes from PhreeqcMatrix.hpp and Phreeqc.h	2024-12-03 06:53:14 +00:00
Max Lübke	52493bf4f4	feat: add PhreeqcRunner class and integrate with PhreeqcMatrix; refactor constructors and update CMakeLists.txt	2024-11-22 13:57:13 +00:00
Max Lübke	969a4cbefd	refactor: add default destructor for PhreeqcMatrix class	2024-11-08 12:46:59 +01:00
Max Lübke	5478ade84e	feat: add function to query wether a cell id exists	2024-10-23 11:06:33 +02:00
Max Lübke	26f6e11177	feat: add H(0) and O(0) to solution list ... refactor: Remove knowledge on "fixed" solution entries from non-wrapper functions	2024-10-23 10:01:49 +02:00
Max Luebke	ee940d20e4	Improve usability outside POET	2024-10-16 14:43:01 +02:00