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34 Commits

Author SHA1 Message Date
rastogi
1dc3e5899d Initial commit 2025-10-24 10:55:49 +02:00
Max Lübke
cfea048fdb fix: update dht_species values for barite and celestite in benchmark scripts 2024-12-20 09:21:18 +01:00
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 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
465a6595b0 Update runtime and test scripts 2024-04-03 10:46:54 +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
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
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
55f3be8c18 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
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 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
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
40188b045c build: add benchmarks to install target 2023-04-13 17:17:36 +02:00
Marco De Lucia
652f319ce9 add bench/barite 2023-04-11 14:58:48 +02:00