5 Commits

Author SHA1 Message Date
Max Lübke
3f8d6cd7a8 Revert "Merge branch 'merge-ma-changes' into nico-daos"
This reverts merge request !18
2023-07-27 15:23:05 +02:00
Max Luebke
afe1d28677 perf: handling of rounded input keys (DHT) improved
data: moved benchmarks from `data` to `bench`

build: bump PhreeqcRM to latest version

fix: removed unnecessary functions from ChemistryModule

fix: remove misses from DHT counter, as they can be deduced from count
of hits
2023-07-27 15:10:38 +02:00
Max Lübke
aa05eaad76 feat: update input scripts to be used with DHT 2022-11-10 16:06:12 +01:00
Max Lübke
3f532562c7 refactor: edit input scripts to be expected input 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