Marco De Lucia
f15eb084d0
Switched default bench init storage to qs
2024-09-12 12:36:40 +02:00
Max Lübke
9119504dcb
chore: remove preprocessed file from project structure
2024-08-29 14:25:37 +02:00
hans
df6127fbda
Merge branch 'origin/ai-surrogate-v03-temp-mdl' into ai_surrogate_merge
2024-06-05 15:59:00 +02:00
hans
dad82f22ba
fix: wp_start_index in Worker
2024-05-31 11:26:50 +02:00
Marco De Lucia
7f522157d1
MDL: AI model seems correctly updated/stored
2024-05-30 13:37:28 +02:00
hans
4b07880a06
docs: updated docs for v03
2024-05-30 13:20:50 +02:00
Marco De Lucia
b974b96d27
MDL: added barite_50ai bench
2024-05-30 11:37:31 +02:00
hans
99d0b8c70d
feat: Add AI Surrogate functions to V.03
2024-05-27 15:22:29 +02:00
hans
a55a7ae095
feat: Add AI Surrogate functions to V.03
2024-05-27 09:09:01 +02:00
Max Lübke
a12ac2c3d5
Add EGU debug model
2024-05-06 10:09:28 +00:00
Max Lübke
2b69da0c5d
BREAKING CHANGE: Enable Surface/Exchange using new API of PhreeqcEngine
2024-05-06 10:01:57 +00:00
Max Luebke
e7d9afd971
Fix build process to only produce benchmarks when needed
2024-04-15 09:10:11 +00:00
Max Lübke
c101564ee8
Fix grid size assignment in GridInit.cpp
2024-04-12 12:35:43 +00:00
Max Luebke
5182b6aa20
Refactor build file generation
2024-04-08 20:31:36 +00:00
Max Luebke
d53db0d5a5
Refactor benchmark files to current POET input expectations
2024-04-08 20:31:36 +00:00
Max Luebke
9a7b6f0f24
Add dolo_inner benchmark
2024-04-05 08:34:41 +00:00
Max Luebke
e57f7923dd
Move old benchmark files into old subdir
...
Move new benchmark files from `het` folder
2024-04-05 08:33:26 +00:00
Max Luebke
3add44ce25
Add functions for checking sign and negativity in dol.pqi and dolo_200.R
2024-04-04 09:27:27 +00:00
Max Lübke
9eeb1502e1
Update iterations and dt values in dolo_200_rt.R
2024-04-03 16:46:50 +02:00
Max Luebke
7655376f89
Update solution parameters in dol.pqi
2024-04-03 14:25:04 +00:00
Max Luebke
465a6595b0
Update runtime and test scripts
2024-04-03 10:46:54 +00:00
Max Lübke
9fb97aeda9
Update units in dol.pqi
2024-04-03 10:59:31 +02:00
Max Lübke
efc1bda554
Update Calcite and Dolomite parameters in dol.pqi
2024-04-03 10:08:37 +02:00
Max Lübke
5f0dc14802
Update out_save in dolo_200_rt.R
2024-04-03 10:08:02 +02:00
Max Luebke
9b38cd2dc1
Add check_sign_cal_dol_dht and fuzz_input_dht_keys functions
2024-04-02 20:35:28 +00:00
Max Luebke
47aa43d1e1
Add DHT functionality, still need to be validated
2024-04-02 14:14:19 +00:00
Max Luebke
082a758f18
Add chemistry initialization to InitialList class
2024-04-02 12:06:55 +00:00
Max Luebke
bd4d7a38ca
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
38a631f0ab
Add Basic heterogeneous diffusion functionality
2024-03-27 20:34:48 +00:00
Max Luebke
ce2f9e237f
Update grid and diffusion setup in test.R
2024-03-19 22:03:22 +00:00
Max Luebke
f7a4bcd0aa
Update CMakeLists.txt and add new files for barite_het simulation
2024-03-13 17:11:53 +01:00
Max Lübke
e5ed6f9f87
Fix broken Dolo large benchmark
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Update surfex to a larger grid size
2024-03-01 12:57:42 +01:00
Max Lübke
ee0bd9167c
Update initial and boundary conditions for dolo large model
2024-02-26 12:34:42 +01:00
Marco De Lucia
0b14de480b
fix: updated bench/barite/{barite.R, barite_interp_eval.R}, added bench/barite/barite_200.R
2024-01-12 12:50:54 +01:00
Max Lübke
433f095f58
Update file dolo_interp_long.R
2023-11-21 16:25:50 +01:00
Marco De Lucia
2b896fa070
docs: README for surfex bench
2023-08-26 18:39:50 +02:00
Marco De Lucia
e9ce4eeb1d
fix: stdout time for diffusion step. Fixes in READMEs
2023-08-26 17:34:21 +02:00
Marco De Lucia
bd5be576a7
docs: readmes for dolo & barite
2023-08-26 17:22:22 +02:00
Marco De Lucia
f0c9c3ea71
ICs, BCs, fixes
2023-08-26 14:24:26 +02:00
Marco De Lucia
b86931bffe
refs, eqs and text
2023-08-26 13:55:06 +02:00
Marco De Lucia
dbb25dc0af
more eqs and text
2023-08-26 13:41:00 +02:00
Marco De Lucia
a8d23a9563
eqs and text
2023-08-26 13:10:17 +02:00
Marco De Lucia
44c6e45fef
some fixes
2023-08-26 12:50:12 +02:00
Marco De Lucia
3c530a68d0
Revert "Update file README.org"
...
This reverts commit 79ef735be72bfa3461efbef9c1b2b80af0d177f6
2023-08-26 12:49:31 +02:00
Marco De Lucia
79ef735be7
Update file README.org
2023-08-26 12:32:47 +02:00
Marco De Lucia
a5e68fbf34
doc: testing src_latex in README.org
2023-08-26 12:29:31 +02:00
Marco De Lucia
7269b6fc81
doc: added bench/barite/README.org
2023-08-26 12:26:52 +02:00
Max Luebke
a5c8982b98
feat: implement SEXP export of Field structure
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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
55f3be8c18
perf: remove unused parameters from paramlist and parameter structure
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doc: update doc to latest changes
data: update benchmarks to latest changes
2023-08-02 14:00:14 +02:00
Max Luebke
999ecac139
feat: introduce LookupKey and rounding schemes
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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
