Max Lübke
5ea2fe5d6f
build: add POET version to doxygen parameter list
2023-03-07 13:44:41 +01:00
Max Luebke
32d35190cb
fix: write fields using R after chem simulation
2023-03-07 13:44:41 +01:00
Max Luebke
e6819b59bc
BREAKING CHANGE: Introduce ChemistryModule as extension of PhreeqcRM
2023-03-07 13:44:41 +01:00
Max Luebke
8df6341a84
build: improve generation of doxygen docs using cmake/doxygen functions
2023-03-06 17:34:11 +01:00
Max Luebke
16eb78ae31
fix: do pre-copy of fields in grid class
...
The idea is to later define chains of module in the input script by
setting an input and output field and the according function to call.
Currently, the code is not ready for such a chain, but the change is
done in advance.
2023-01-23 16:36:54 +01:00
Max Luebke
689c55bf32
refactor: make Grid class a bit more generic
2023-01-23 14:57:26 +01:00
Max Luebke
dc036cfcee
fix: bring back old time and dt output to RDS file
2023-01-06 10:56:05 +01:00
Marco De Lucia
a3bd0cef6d
refactor: apply changes from MDL
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
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
