Max Luebke
dc3502685c
Add support for missing species in init grid, which are injected (by boundary condition)
2024-04-03 14:25:04 +00:00
Max Luebke
7be00983e5
Update iphreeqc subproject commit
2024-04-03 10:47:33 +00:00
Max Luebke
fb725f0b50
Update dependencies and refactor code
2024-04-02 11:41:38 +00:00
Max Luebke
f184fb7962
Remove doctest submodule and update gitmodules
2024-04-02 10:33:56 +00:00
Max Lübke
a345191d5a
Update dependencies and refactor code
2024-03-28 14:23:20 +00:00
Max Lübke
38a631f0ab
Add Basic heterogeneous diffusion functionality
2024-03-27 20:34:48 +00:00
Max Lübke
b6a5a7a6a2
Add file reading functionality and update script and database handling
2024-03-19 13:11:42 +00:00
Max Lübke
15d9b06516
Update getModuleSizes function to use new API
2024-03-19 09:48:31 +00:00
Max Luebke
f832a9e0db
Save latest changes, boundaries still missing or incomplete
2024-03-19 08:12:20 +00:00
Max Luebke
87de816f93
Add modify_module_sizes function and modify module_sizes in InitialList class
2024-03-13 23:50:13 +01:00
Max Luebke
3380eb4a8f
Add iphreeqc and init_r_lib submodules, and make necessary changes to CMakeLists.txt and src/initializer.cpp
2024-03-13 16:57:44 +01:00
Max Luebke
ff8da12193
feat: enable interpolation without DHT lookup
2023-08-10 14:15:26 +02:00
Max Luebke
c5676b9a00
chore: update doctest to version 2.4.11
2023-08-01 18:47:56 +02:00
Max Luebke
999ecac139
feat: introduce LookupKey and rounding schemes
...
feat: implement data clustering using PHT
feat: implement interpolation
refactor: use named vector for DHT species definition and significant digits
data: remove unusable input scripts
data: move Phreeqc database to benchmark dir
refactor: rename dolomite benchmark directory
refactor: remove DHT prop type from input script
2023-08-01 18:34:50 +02:00
Max Luebke
ef2e20fd52
fix: remove non-standard bits headers from submodules
2023-05-22 11:17:21 +02:00
Max Lübke
1d484518f0
fix: re-enable DHT correctly
...
feat: store excess H and O instead of total values
2023-04-24 16:58:48 +02:00
Max Luebke
e214eb1b48
feat: add surface module
2023-04-17 15:52:27 +02:00
Max Luebke
59d65e6e29
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
a4a5595c9e
BREAKING CHANGE: Introduce ChemistryModule as extension of PhreeqcRM
2023-03-07 13:44:41 +01:00
Max Lübke
c529b72f10
chore: update PhreeqcRM-GFZ dependency
2023-03-03 15:51:54 +01:00
Max Luebke
a08565582e
chore: add doctest as dependency
2023-03-03 15:41:11 +01:00
Max Luebke
76d9e0eb5a
fix: calculation of wp_sizes_vector
2023-01-24 16:11:01 +01:00
Max Luebke
376e7eab80
refactor: make Grid class a bit more generic
2023-01-23 14:57:26 +01:00
Max Luebke
bae7d769e7
BREAKING CHANGE: utilize PhreeqcRM and bring back old DHT bindings
2023-01-06 10:56:01 +01:00
Max Luebke
f2c81df096
BREAKING CHANGE: substitute R bindings of Phreeqc by PhreeqcRM
2023-01-06 10:51:03 +01:00
Max Luebke
c8453e48ca
feat: Add phreeqcrm as submodule
2023-01-06 10:51:02 +01:00
Max Lübke
871a2ec82a
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
