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"
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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
Marco De Lucia
b961c26a85
testing staged changes
2023-08-17 14:29:09 +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
4660fd4c48
chore: add .cache to gitignore
2023-08-16 12:21:19 +02:00
Max Luebke
74ebe3e1f1
fix: only write PHT dump file if advised to do so
2023-08-15 17:33:10 +02:00
Marco De Lucia
344f73af23
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
fef482f5e0
fix: rounded_key instead of roundedKey
2023-08-11 11:04:11 +02:00
Max Lübke
d4f525ccbf
ci: add expiration date for build artifacts
2023-08-11 10:26:40 +02:00
Max Lübke
2d22daa820
ci: always run build and test stage on new commits
2023-08-11 10:19:02 +02:00
Max Luebke
f81fdfa3b4
fix: remove reworked part in output
2023-08-10 14:17:17 +02:00
Max Luebke
ff8da12193
feat: enable interpolation without DHT lookup
2023-08-10 14:15:26 +02:00
Max Luebke
e9969eeb66
fix: add includes to macros
2023-08-09 14:16:09 +02:00
Marco De Lucia
5ce26df771
MDL: replaced all cout/cerr with macros MSG, ERRMSG...
2023-08-09 12:22:03 +02:00
Marco De Lucia
939052968b
MDL: added include/poet/Macros.hpp
2023-08-09 12:20:55 +02:00
Marco De Lucia
bb6ebf6ada
MDL: add stdout message from initialisation in SimParams
2023-08-09 09:50:09 +02:00
Max Luebke
a69ee81325
fix: pass copy of map to DHT parsing
2023-08-04 13:40:20 +02:00
Max Luebke
b040f6d8c4
fix: use output index also for weighting
2023-08-03 21:23:50 +02:00
Max Luebke
0f51d9dfef
fix: apply weights to output values (rates) instead of input values
2023-08-03 17:22:59 +02:00
Max Luebke
15ac79673a
Merge branch 'ml-doc' into v0.x
2023-08-02 14:00:44 +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
dd1fc5214e
fix: remove mass balance check
2023-08-01 23:19:16 +02:00
Max Luebke
c5676b9a00
chore: update doctest to version 2.4.11
2023-08-01 18:47:56 +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
Max Lübke
751da30399
Merge branch 'remove-prop-type' into 'main'
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refactor: remove DHT prop type from input script
See merge request naaice/poet!17
2023-07-21 17:25:12 +02:00
Max Luebke
2469e0fa23
refactor: remove DHT prop type from input script
2023-07-21 17:24:25 +02:00
Max Lübke
99e9d84e4e
Merge branch 'rinside-everywhere' into 'main'
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Implement RInside as singleton pattern
See merge request naaice/poet!16
2023-07-21 12:53:07 +02:00
Max Luebke
3940df0283
refactor: implement R runtime as singleton pattern
2023-07-21 12:51:56 +02:00
Max Luebke
eecf8d2b63
refactor: remove support for PhreeqcRM support
2023-07-21 12:43:57 +02:00
Max Luebke
713067c48a
build: build one poet library
2023-07-21 12:35:55 +02:00
Max Lübke
29034310a2
Merge branch 'fix-readme' into 'main'
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Fixed scheme link in README
See merge request naaice/poet!15
2023-07-20 12:28:37 +02:00
Max Luebke
490f65b096
doc: Fixed scheme link in README
2023-07-20 12:27:44 +02:00
Max Lübke
aa30ebb5da
Merge branch '9-toggle-progressbar-with-commandline-option' into 'main'
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Resolve "Toggle progressbar with commandline option"
Closes #9
See merge request naaice/poet!14
2023-07-12 12:57:49 +02:00
Max Luebke
cab0d78b15
feat: toggle progressbar by commandline option
2023-07-12 12:56:36 +02:00
Max Lübke
840792c030
Merge branch '8-remove-non-standard-bits-headers-from-poet-and-its-submodules' into 'main'
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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
ef2e20fd52
fix: remove non-standard bits headers from submodules
2023-05-22 11:17:21 +02:00
Max Lübke
259bd5d4c8
Merge branch '6-dht-support-with-poet-dump' into 'main'
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Resolve "DHT support with POET dump"
Closes #6
See merge request naaice/poet!11
2023-04-24 16:58:49 +02:00
Max Lübke
1d484518f0
fix: re-enable DHT correctly
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feat: store excess H and O instead of total values
2023-04-24 16:58:48 +02:00
Max Lübke
c14820d112
Merge branch '7-use-field-data-structure-instead-plain-vector' into 'main'
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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
3c5a762f91
BREAKING CHANGE: use Field data structure instead of plain 1D vector to
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store concentrations
2023-04-24 14:25:55 +02:00
Max Lübke
88de97d79b
Merge branch '5-surface-exchange-benchmark-with-poet' into 'main'
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Resolve "Surface/Exchange benchmark with POET"
Closes #5
See merge request naaice/poet!10
2023-04-18 14:38:15 +02:00
Max Luebke
e214eb1b48
feat: add surface module
2023-04-17 15:52:27 +02:00
Max Lübke
bdd63c044e
Merge branch 'exchange' into 'main'
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Exchange
See merge request naaice/poet!3
2023-04-17 12:38:32 +02:00
Max Luebke
b90e180d87
refactor: remove bits/stdint-uintn.h as header
2023-04-17 12:37:43 +02:00
Max Luebke
59d65e6e29
BREAKING CHANGE: use dump mechanism of PhreeqcRM-GFZ to get and set
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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
31b3ea22f6
Merge branch 'fix-barite' into 'main'
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Fix negative solutions in barite benchmark
See merge request naaice/poet!9
2023-04-13 18:08:46 +02:00
