Max Lübke
66d908b548
fix: Correct boolean conversion in DHT hook call
2025-03-12 10:35:23 +01:00
Max Lübke
480dd146f4
BREAKING CHANGE: Enable Surface/Exchange using new API of PhreeqcEngine
2024-05-06 10:01:57 +00:00
Max Lübke
e11caba0b3
Fix grid size assignment in GridInit.cpp
2024-04-12 12:35:43 +00:00
Max Luebke
c42b335aae
Refactor build file generation
2024-04-08 20:31:36 +00:00
Max Luebke
a2f04836a4
Refactor benchmark files to current POET input expectations
2024-04-08 20:31:36 +00:00
Max Luebke
e6092c9166
Add dolo_inner benchmark
2024-04-05 08:34:41 +00:00
Max Luebke
a24b4f5f51
Move old benchmark files into old subdir
...
Move new benchmark files from `het` folder
2024-04-05 08:33:26 +00:00
Max Luebke
d07cfd3465
Add functions for checking sign and negativity in dol.pqi and dolo_200.R
2024-04-04 09:27:27 +00:00
Max Lübke
2b6f17f18c
Update iterations and dt values in dolo_200_rt.R
2024-04-03 16:46:50 +02:00
Max Luebke
9976538c11
Update solution parameters in dol.pqi
2024-04-03 14:25:04 +00:00
Max Lübke
7aea66387a
Update units in dol.pqi
2024-04-03 10:59:31 +02:00
Max Lübke
13b6cf6549
Update Calcite and Dolomite parameters in dol.pqi
2024-04-03 10:08:37 +02:00
Max Lübke
4468945dec
Update out_save in dolo_200_rt.R
2024-04-03 10:08:02 +02:00
Max Luebke
246fbf4434
Add check_sign_cal_dol_dht and fuzz_input_dht_keys functions
2024-04-02 20:35:28 +00:00
Max Luebke
c667bee7d8
Add DHT functionality, still need to be validated
2024-04-02 14:14:19 +00:00
Max Luebke
b229377adb
Add chemistry initialization to InitialList class
2024-04-02 12:06:55 +00:00
Max Luebke
14b111662d
Add dolo_200_rt.R, dol.pqi, and dolo_200.R files for simulation setup
2024-04-02 11:41:38 +00:00
Max Lübke
42e740beb9
Fix broken Dolo large benchmark
...
Update surfex to a larger grid size
2024-03-01 12:57:42 +01:00
Max Lübke
19429516a9
Update initial and boundary conditions for dolo large model
2024-02-26 12:34:42 +01:00
Max Lübke
2204f0f793
Update file dolo_interp_long.R
2023-11-21 16:25:50 +01:00
Marco De Lucia
9c68f9d979
fix: stdout time for diffusion step. Fixes in READMEs
2023-08-26 17:34:21 +02:00
Marco De Lucia
d32141bed2
docs: readmes for dolo & barite
2023-08-26 17:22:22 +02:00
Max Luebke
c5a991c4c9
feat: implement SEXP export of Field structure
...
feat: implement NamedVector based on Rcpp::NumericVector
feat: remove hard coded checks and substitute by R hook functions,
defined in the input script
refactor: modify API of DHT_Wrapper/InterpolationModule to expect a work
package structure, where input/output values are stored as 2D vectors
test: add tests for NamedVector
test: extend tests for Field
2023-08-17 10:51:54 +02:00
Max Luebke
37ee74faaf
perf: remove unused parameters from paramlist and parameter structure
...
doc: update doc to latest changes
data: update benchmarks to latest changes
2023-08-02 14:00:14 +02:00
Max Luebke
0c2597d97f
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
