26 Commits

Author	SHA1	Message	Date
Marco De Lucia	29fbbc657b	add getSelectedOutputNames() to poet/test/testGetterscpp	2025-08-01 11:41:14 +02:00
Max Luebke	9cead329e2	test: cleanup test input files	2025-07-29 14:55:22 +02:00
Max Luebke	b7c2574a0d	test: adapt tests to new API	2025-07-29 14:53:15 +02:00
Max Luebke	769b02452d	test: add supporto for pure phases in reader	2025-07-29 14:52:47 +02:00
Max Luebke	90c5ec80f4	test: add direct IPhreeqcReader	2025-07-29 13:45:57 +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
Marco De Lucia	979cc7dec0	latest debugging script	2025-07-28 13:09:31 +02:00
Marco De Lucia	64d9685b97	testGolemRunner + example	2025-07-28 12:26:20 +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 Lübke	38268b4aad	feat: add support for ignoring specified cells in simulation run	2024-12-04 09:06:40 +00:00
Max Lübke	52f61f6db0	test: update PhreeqcEngine tests to skip Charge, H(0), and O(0) values	2024-12-04 08:07:40 +00:00
Max Lübke	87e210752d	Merge branch 'mdl/fixRunner' into 'poet' ... Mdl/fix runner See merge request naaice/iphreeqc!18	2024-12-03 10:35:13 +01:00
Marco De Lucia	db0844599f	add dolo.pqi	2024-12-03 09:55:15 +01:00
Max Lübke	863fb146c8	feat: add PhreeqcKnobs class for managing knob parameters; update CMakeLists.txt and add tests	2024-12-03 08:00:37 +00:00
Marco De Lucia	f6f89a1161	Fixed commit	2024-12-02 18:20:02 +01:00
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	64156134bd	refactor: reorganize CMakeLists.txt to define source files and integrate testing	2024-11-22 13:57:13 +00:00
Max Lübke	7cc00e335a	Bump Phreecq to version 3.8.2	2024-10-23 13:43:30 +02:00
Max Lübke	fd32253456	feat: add test for negative time step	2024-10-23 13:06:32 +02:00
Max Lübke	ef887290cb	test: Add PhreeqcEngine tests ... fix: Handle reordering of Equilibrium components by Phreeqc	2024-10-23 13:04:50 +02:00
Max Lübke	5478ade84e	feat: add function to query wether a cell id exists	2024-10-23 11:06:33 +02:00
Max Lübke	32aa5527df	test: Load databases and scripts during runtime	2024-10-23 10:28:28 +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