10 Commits

Author	SHA1	Message	Date
Max Lübke	5ef755744c	build: install scripts under 'share/poet'	2023-01-24 16:10:08 +01:00
Max Lübke	526d61eaa7	use "native" input as rounding without pH/pe calculation	2023-01-24 16:10:08 +01:00
Max Luebke	2e675d8139	fix: setting of inner constant cells	2023-01-06 10:56:05 +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 Lübke	aa05eaad76	feat: update input scripts to be used with DHT	2022-11-10 16:06:12 +01:00
Max Lübke	8dd2bd192d	feat: enable parallelization with tug	2022-11-10 16:06:11 +01:00
Max Lübke	3f532562c7	refactor: edit input scripts to be expected input	2022-11-10 16:06:11 +01:00
Max Lübke	b5813d0530	feat: allow more than one iteration in sequential mode ... fix: enable timesteps to simulate	2022-11-10 16:06:11 +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