12 Commits

Author	SHA1	Message	Date
Max Luebke	ded8fbd0ae	BREAKING CHANGE: utilize PhreeqcRM and bring back old DHT bindings	2023-01-06 10:56:01 +01:00
Max Luebke	8d13748545	refactor: rename ChemSim to ChemSeq ... refactor: introduce new base class BaseChemModule for both sequential and parallel chemistry module refactor: iterative loop of simulations in poet application via template function This should make the application code more readable.	2023-01-06 10:51:03 +01:00
Max Luebke	aed9cb3395	BREAKING CHANGE: substitute R bindings of Phreeqc by PhreeqcRM	2023-01-06 10:51:03 +01:00
Max Luebke	df08e38b9a	fix: missing namespace of phreeqcrm leads to ambiguous macro names	2023-01-06 10:51:02 +01:00
Max Luebke	99d937eaf6	refactor: decouple ChemSim to ChemSimSeq and ChemSimPar ... refactor: cleanup of header files	2023-01-06 10:51:02 +01:00
Max Lübke	f7b2e61589	perf: remove unused R libraries/sources	2022-11-10 16:06:12 +01:00
Max Lübke	f78842c6d6	perf: remove RRuntime as there is no need anymore	2022-11-10 16:06:12 +01:00
Max Lübke	8f89a5268c	refactor: cleanup of code, renaming of chemsitry module function and some output added to the diffusion module	2022-11-10 16:06:11 +01:00
Max Lübke	8dd2bd192d	feat: enable parallelization with tug	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
Max Lübke	67a89cde94	build: move headers to include ... build: instead of several libraries, build one lib and link to poet application	2022-10-05 12:16:53 +02:00