Max Lübke
881ed1fea9
Merge branch 'add-phreeqcrm' into 'main'
...
Refactor ChemistryModule and implement PhreeqcRM parallelization
See merge request sec34/port!22
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
Marco De Lucia
27b94065ea
data: added surfex benchmark
2023-03-07 13:44:41 +01:00
Max Luebke
32d35190cb
fix: write fields using R after chem simulation
2023-03-07 13:44:41 +01:00
Max Luebke
e6819b59bc
BREAKING CHANGE: Introduce ChemistryModule as extension of PhreeqcRM
2023-03-07 13:44:41 +01:00
Max Luebke
a493054f9d
refactor: In SimParams, relocate trivial getter/setters to header file
...
refactor: change vector data types of dht_signif_vector and
dht_prop_type_vector to both uint32
2023-03-06 18:07:41 +01:00
Max Luebke
fc79d1d0a8
refactor: DHT_Wrapper class
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feat: add setters to DHT_Wrapper to set prop type vector and signif
vector
refactor: remove dependency from SimParams structure
feat: introduce new header defining DHT types
2023-03-06 18:07:41 +01:00
Max Lübke
1b1ef9eb5c
Merge branch 'fix-ci' into 'main'
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ci: fix pages job name
See merge request sec34/port!21
2023-03-06 18:06:19 +01:00
Max Luebke
7560e56e8c
ci: fix pages job name
2023-03-06 18:04:49 +01:00
Max Lübke
4a46a3fb7d
Merge branch 'doc' into 'main'
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Enhanvcement of CI, enabling doxygen doc generation
See merge request sec34/port!20
2023-03-06 18:00:55 +01:00
Max Luebke
be2159227e
ci: Only build and test on merge request
2023-03-06 17:59:23 +01:00
Max Luebke
062f7a2151
ci: add doxygen docs to pipeline and pages
2023-03-06 17:59:23 +01:00
Max Luebke
8df6341a84
build: improve generation of doxygen docs using cmake/doxygen functions
2023-03-06 17:34:11 +01:00
Max Lübke
d3568594ae
Merge branch 'fix-chem' into 'main'
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chore: update PhreeqcRM-GFZ dependency
See merge request sec34/port!19
2023-03-03 15:51:55 +01:00
Max Lübke
c3ad9a06ca
chore: update PhreeqcRM-GFZ dependency
2023-03-03 15:51:54 +01:00
Max Lübke
29344a3ff0
Merge branch 'implement-field-class' into 'main'
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feat: add Field data structure as substitution of field declaration
See merge request sec34/port!18
2023-03-03 15:43:00 +01:00
Max Luebke
fbb2ad6a67
ci: enable run of tests in CI
2023-03-03 15:41:11 +01:00
Max Luebke
7202a0d1ff
chore: add 'test' to commit group
2023-03-03 15:41:11 +01:00
Max Luebke
357936b639
test: add test cases for Field class
2023-03-03 15:41:11 +01:00
Max Luebke
1129761df3
chore: add doctest as dependency
2023-03-03 15:41:11 +01:00
Max Luebke
86db80ffc3
feat: add Field data structure as substitution of field declaration
...
using std::vector
2023-03-03 15:41:11 +01:00
Max Lübke
a579f30bcb
Merge branch 'ci-release' into 'main'
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ci: add automatic release creation on tag
See merge request sec34/port!17
2023-02-09 18:28:40 +01:00
Max Luebke
dcfb75adee
ci: add automatic release creation on tag
2023-02-09 17:28:25 +00:00
Max Lübke
c9859aa206
Merge branch 'fix-rounding' into 'main'
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fix: remove rounding to significant digit +1
See merge request sec34/port!16
2023-02-06 14:05:48 +01:00
Max Luebke
7639bcb045
fix: remove rounding to significant digit +1
2023-02-06 14:04:50 +01:00
Max Lübke
96a71b2a32
Merge branch 'fix-r-code' into 'main'
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Fix r code
See merge request sec34/port!15
2023-01-24 16:48:41 +01:00
Max Luebke
74b1e466df
build: add dolo_diffu_large to install list
2023-01-24 16:47:56 +01:00
Max Luebke
535ed489b3
fix: check of existence of objects in R setup list
2023-01-24 16:46:18 +01:00
Max Lübke
247e5ffe73
Merge branch 'dht-rounding' into 'main'
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Merge latest changes including DHT rounding and code refactoring
See merge request sec34/port!14
2023-01-24 16:11:37 +01:00
Max Luebke
dc75c65b88
R: enable control of output after each iteration
2023-01-24 16:11:03 +01:00
Max Luebke
8ba796c178
data: adapt benchmarks to results of meeting
2023-01-24 16:11:03 +01:00
Max Luebke
8142a10d00
refactor: combine DHT results to one struct
...
This struct stores both used keys and resulting data with work package
size and Phreeqc mapping during call of `checkDHT`.
This makes a second fuzzing of keys during `fillDHT` obsolete.
2023-01-24 16:11:03 +01:00
Max Luebke
f7404110ab
fix: calculation of wp_sizes_vector
2023-01-24 16:11:01 +01:00
Marco De Lucia
5429696d89
Adding scheme to README
2023-01-24 16:10:08 +01:00
Max Lübke
9ffe3da7e1
fix: set porosity to 1 (hardcoded for now)
2023-01-24 16:10:08 +01:00
Marco De Lucia
080b2f99f2
MDL: suppressed warnings (hard coded for now); added 1k*2k simulation bench/dolo_diffu_inner_large
2023-01-24 16:10:08 +01:00
Max Lübke
9e4aea38e3
fix: set all values less than 10E-14 to zero
2023-01-24 16:10:08 +01:00
Max Lübke
e71369bcdf
data: set signif vector and types
2023-01-24 16:10:08 +01:00
Max Lübke
5ef755744c
build: install scripts under 'share/poet'
2023-01-24 16:10:08 +01:00
Max Lübke
526d61eaa7
use "native" input as rounding without pH/pe calculation
2023-01-24 16:10:08 +01:00
Max Lübke
cd5bbfa9a3
adding different cases of prop types and zero value
2023-01-24 16:10:08 +01:00
Marco De Lucia
4262e36947
Fixed filenames in dolo_diffu_inner
2023-01-24 16:10:08 +01:00
Marco De Lucia
57af37483f
Added "bench" dir with dolo_diffu_inner
2023-01-24 16:10:08 +01:00
Max Lübke
5ef228c27f
refactor: pass work packages as constant reference to DHT functions
2023-01-24 16:10:08 +01:00
Max Lübke
1d37709e98
util: provide conversion of new rounding scheme in ReadDHT
2023-01-24 16:10:08 +01:00
Max Lübke
575d881158
build: add option to enable DHT debug infos
2023-01-24 16:10:08 +01:00
Max Lübke
4118fe4ed0
fix: handle negative values in keyelement with significant as signed integer
2023-01-24 16:10:08 +01:00
