Marco De Lucia
a57301d641
doc: testing src_latex in README.org
2023-08-26 12:29:31 +02:00
Marco De Lucia
5094233e12
doc: added bench/barite/README.org
2023-08-26 12:26:52 +02:00
Marco De Lucia
93088f9bf5
testing staged changes
2023-08-17 14:29:09 +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
3897cc6bf8
chore: add .cache to gitignore
2023-08-16 12:21:19 +02:00
Max Luebke
c4de48b17e
fix: only write PHT dump file if advised to do so
2023-08-15 17:33:10 +02:00
Marco De Lucia
6f20cb897b
fix: unnest pht- and dht-related outputs and stats collection in WorkerPostIter and WorkerPostSim
2023-08-11 14:44:26 +02:00
Marco De Lucia
7a10217751
fix: rounded_key instead of roundedKey
2023-08-11 11:04:11 +02:00
Max Lübke
4c3752fd49
ci: add expiration date for build artifacts
2023-08-11 10:26:40 +02:00
Max Lübke
6e687acf45
ci: always run build and test stage on new commits
2023-08-11 10:19:02 +02:00
Max Luebke
e82544a25d
fix: remove reworked part in output
2023-08-10 14:17:17 +02:00
Max Luebke
164406ff25
feat: enable interpolation without DHT lookup
2023-08-10 14:15:26 +02:00
Max Luebke
20db291bae
fix: add includes to macros
2023-08-09 14:16:09 +02:00
Marco De Lucia
8707da42c3
MDL: replaced all cout/cerr with macros MSG, ERRMSG...
2023-08-09 12:22:03 +02:00
Marco De Lucia
b08697f9d4
MDL: added include/poet/Macros.hpp
2023-08-09 12:20:55 +02:00
Marco De Lucia
4181e189a1
MDL: add stdout message from initialisation in SimParams
2023-08-09 09:50:09 +02:00
Max Luebke
88662d6b2e
fix: pass copy of map to DHT parsing
2023-08-04 13:40:20 +02:00
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
616e7ad5f7
Merge branch 'remove-prop-type' into 'main'
...
refactor: remove DHT prop type from input script
See merge request naaice/poet!17
2023-07-21 17:25:12 +02:00
Max Luebke
f4330adeb7
refactor: remove DHT prop type from input script
2023-07-21 17:24:25 +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
