7 Commits

Author	SHA1	Message	Date
Max Luebke	1129761df3	chore: add doctest as dependency	2023-03-03 15:41:11 +01:00
Max Luebke	f7404110ab	fix: calculation of wp_sizes_vector	2023-01-24 16:11:01 +01:00
Max Luebke	689c55bf32	refactor: make Grid class a bit more generic	2023-01-23 14:57:26 +01:00
Max Luebke	ded8fbd0ae	BREAKING CHANGE: utilize PhreeqcRM and bring back old DHT bindings	2023-01-06 10:56:01 +01:00
Max Luebke	aed9cb3395	BREAKING CHANGE: substitute R bindings of Phreeqc by PhreeqcRM	2023-01-06 10:51:03 +01:00
Max Luebke	fbbefc673f	feat: Add phreeqcrm as submodule	2023-01-06 10:51:02 +01:00
Max Lübke	28b59ff6c3	BREAKING CHANGE: integrate 'tug' as diffusion module ... It is now possible to run a simulation for one iteration in sequential mode without the use of Rmufits. According scripts are provided. refactor: TransportSim renamed to DiffusionModule refactor: parsing of R input script is now done outside of simulation modules (except ChemSim)	2022-11-10 16:06:08 +01:00