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Author SHA1 Message Date
Max Luebke
52d8b164e6 fix: use output index also for weighting 2023-08-03 21:23:50 +02:00
Max Luebke
f7d8f8751a fix: apply weights to output values (rates) instead of input values 2023-08-03 17:22:59 +02:00
Max Luebke
d5d098d6cd Merge branch 'ml-doc' into v0.x 2023-08-02 14:00:44 +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
4f9e66253f fix: remove mass balance check 2023-08-01 23:19:16 +02:00
Max Luebke
6d94141c98 chore: update doctest to version 2.4.11 2023-08-01 18:47:56 +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
Max Lübke
e62472237d Merge branch 'rinside-everywhere' into 'main' 
Implement RInside as singleton pattern

See merge request naaice/poet!16
 2023-07-21 12:53:07 +02:00
Max Luebke
d9964e0427 refactor: implement R runtime as singleton pattern 2023-07-21 12:51:56 +02:00
Max Luebke
bae5e96b7a refactor: remove support for PhreeqcRM support 2023-07-21 12:43:57 +02:00
Max Luebke
2914f59c13 build: build one poet library 2023-07-21 12:35:55 +02:00
Max Lübke
ca922dfa2a Merge branch 'fix-readme' into 'main' 
Fixed scheme link in README

See merge request naaice/poet!15
 2023-07-20 12:28:37 +02:00
Max Luebke
461418e8b0 doc: Fixed scheme link in README 2023-07-20 12:27:44 +02:00
Max Lübke
25abe63e83 Merge branch '9-toggle-progressbar-with-commandline-option' into 'main' 
Resolve "Toggle progressbar with commandline option"

Closes #9

See merge request naaice/poet!14
 2023-07-12 12:57:49 +02:00
Max Luebke
55dffe9308 feat: toggle progressbar by commandline option 2023-07-12 12:56:36 +02:00
Max Lübke
3cd2320e3f Merge branch '8-remove-non-standard-bits-headers-from-poet-and-its-submodules' into 'main' 
Resolve "Remove non-standard `bits/*` headers from POET and its submodules"

Closes #8

See merge request naaice/poet!13
 2023-05-22 11:19:06 +02:00
Max Luebke
e988c8c6d4 fix: remove non-standard bits headers from submodules 2023-05-22 11:17:21 +02:00
Max Lübke
a32ae37ab1 Merge branch '6-dht-support-with-poet-dump' into 'main' 
Resolve "DHT support with POET dump"

Closes #6

See merge request naaice/poet!11
 2023-04-24 16:58:49 +02:00
Max Lübke
f9da7830f2 fix: re-enable DHT correctly 
feat: store excess H and O instead of total values
 2023-04-24 16:58:48 +02:00
Max Lübke
ec47cbe8e7 Merge branch '7-use-field-data-structure-instead-plain-vector' into 'main' 
Resolve "Use field data structure instead of plain vector"

Closes #7

See merge request naaice/poet!12
 2023-04-24 14:27:10 +02:00
Max Luebke
89fc291e79 BREAKING CHANGE: use Field data structure instead of plain 1D vector to 
store concentrations
 2023-04-24 14:25:55 +02:00
Max Lübke
2e7af244e2 Merge branch '5-surface-exchange-benchmark-with-poet' into 'main' 
Resolve "Surface/Exchange benchmark with POET"

Closes #5

See merge request naaice/poet!10
 2023-04-18 14:38:15 +02:00
Max Luebke
5492560f6c feat: add surface module 2023-04-17 15:52:27 +02:00
Max Lübke
4c430ff819 Merge branch 'exchange' into 'main' 
Exchange

See merge request naaice/poet!3
 2023-04-17 12:38:32 +02:00
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 Lübke
315ac84423 Merge branch 'fix-barite' into 'main' 
Fix negative solutions in barite benchmark

See merge request naaice/poet!9
 2023-04-13 18:08:46 +02:00
Max Luebke
607b939208 fix: remove unnecessary RoundToZero function from DiffusionModule 2023-04-13 17:26:18 +02:00
Max Luebke
5c540af2bf build: add benchmarks to install target 2023-04-13 17:17:36 +02:00
Marco De Lucia
32bfd7527e restoring CMakeLists 2023-04-11 17:46:48 +02:00
Marco De Lucia
109ddc3ece MDL: enable all subdirs in bench/ in CMakeLists 2023-04-11 14:58:48 +02:00
Marco De Lucia
38abf31632 add bench/barite 2023-04-11 14:58:48 +02:00
Max Lübke
b5a5f5409c Merge branch 'fix-dht-key-size' into 'main' 
fix: wrong key size in DHT

See merge request naaice/poet!5
 2023-04-05 12:51:48 +02:00
Max Luebke
956951fc80 fix: wrong key size in DHT 2023-04-05 11:46:10 +02:00
Max Lübke
761cddd469 Merge branch 'fix-ci' into 'main' 
ci: create build directories for pages

See merge request naaice/poet!7
 2023-03-31 15:24:03 +02:00
Max Luebke
010a594bb7 ci: create build directories for pages 2023-03-31 15:22:49 +02:00
Max Lübke
4829a0e563 Merge branch 'fix-ci' into 'main' 
Fix CI

See merge request naaice/poet!6
 2023-03-31 15:21:23 +02:00
Max Luebke
b3323e01a1 ci: improve ci 
ci: add image to repository container registry
 2023-03-31 15:19:23 +02:00
Max Luebke
9f290d584a fix: remove openssl includes 2023-03-31 15:18:56 +02:00
Max Luebke
18eff17773 build: remove crypto library as dependency 2023-03-31 15:18:56 +02:00
Max Lübke
76dcdf400e Merge branch 'fix-hashing' into 'main' 
fix: use Murmur hashing for DHT lookup

See merge request naaice/poet!2
 2023-03-28 14:31:59 +02:00
Max Luebke
f1a10a9b22 fix: use Murmur hashing for DHT lookup 2023-03-28 14:27:00 +02:00
Max Lübke
1bc2b12184 ci: fix release url and name 
ci: keep source artifacts forever
 2023-03-20 15:47:43 +01:00
Max Lübke
4ac93e3a53 Merge branch 'move-to-naaice-namespace' into 'main' 
chore: update project to fit in naaice namespace

See merge request naaice/poet!1
 2023-03-15 13:27:07 +01:00
Max Lübke
39103ef857 chore: update project to fit in naaice namespace 2023-03-15 13:22:44 +01:00
Max Lübke
881ed1fea9 Merge branch 'add-phreeqcrm' into 'main' 
Refactor ChemistryModule and implement PhreeqcRM parallelization

See merge request sec34/port!22
v0.2 		2023-03-07 13:58:50 +01:00
Max Lübke
7b48daf756 chore: delete unused files 2023-03-07 13:44:41 +01:00
Max Lübke
5ea2fe5d6f build: add POET version to doxygen parameter list 2023-03-07 13:44:41 +01:00
Max Lübke
e04da71f92 doc: update documentation to latest progress 2023-03-07 13:44:41 +01:00
Max Lübke
2020a25409 fix: converting to data frames substitutes special chars to '.' 2023-03-07 13:44:41 +01:00