15 Commits

Author SHA1 Message Date
Max Luebke
1716382b84 refactor: remove bits/stdint-uintn.h as header 2023-04-17 12:37:43 +02:00
Max Luebke
3fdf586e0d BREAKING CHANGE: use dump mechanism of PhreeqcRM-GFZ to get and set
internal variables

feat: enables exchange

data: added exchange only benchmark

data: applied required changes to benchmarks
2023-04-17 12:37:43 +02:00
Max Luebke
607b939208 fix: remove unnecessary RoundToZero function from DiffusionModule 2023-04-13 17:26:18 +02:00
Max Luebke
e6819b59bc BREAKING CHANGE: Introduce ChemistryModule as extension of PhreeqcRM 2023-03-07 13:44:41 +01:00
Max Lübke
9e4aea38e3 fix: set all values less than 10E-14 to zero 2023-01-24 16:10:08 +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
2e675d8139 fix: setting of inner constant cells 2023-01-06 10:56:05 +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
99d937eaf6 refactor: decouple ChemSim to ChemSimSeq and ChemSimPar
refactor: cleanup of header files
2023-01-06 10:51:02 +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
ba80f0be20 fix: differentiate between 1D and 2D boundary condition 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
3636070c06 fix: use resize instead of reserve 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