Max Lübke
c96b024ff6
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
83a115faf9
chore: delete unused files
2023-03-07 13:44:41 +01:00
Max Lübke
f6ba639b1d
build: add POET version to doxygen parameter list
2023-03-07 13:44:41 +01:00
Max Lübke
25f503ffc5
doc: update documentation to latest progress
2023-03-07 13:44:41 +01:00
Max Lübke
0692638cb3
fix: converting to data frames substitutes special chars to '.'
2023-03-07 13:44:41 +01:00
Marco De Lucia
d17b758161
data: added surfex benchmark
2023-03-07 13:44:41 +01:00
Max Luebke
1d89835b16
fix: write fields using R after chem simulation
2023-03-07 13:44:41 +01:00
Max Luebke
a4a5595c9e
BREAKING CHANGE: Introduce ChemistryModule as extension of PhreeqcRM
2023-03-07 13:44:41 +01:00
Max Luebke
39573c1874
refactor: In SimParams, relocate trivial getter/setters to header file
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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
2df771cd74
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
af7e25c0b6
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
4c8eaeeb5e
ci: fix pages job name
2023-03-06 18:04:49 +01:00
Max Lübke
4d85600093
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
576dbbfc46
ci: Only build and test on merge request
2023-03-06 17:59:23 +01:00
Max Luebke
9a49201f0a
ci: add doxygen docs to pipeline and pages
2023-03-06 17:59:23 +01:00
Max Luebke
155153aa32
build: improve generation of doxygen docs using cmake/doxygen functions
2023-03-06 17:34:11 +01:00
Max Lübke
e77e79f1bf
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
c529b72f10
chore: update PhreeqcRM-GFZ dependency
2023-03-03 15:51:54 +01:00
Max Lübke
3de12c743c
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
3f118d8991
ci: enable run of tests in CI
2023-03-03 15:41:11 +01:00
Max Luebke
0fcad65091
chore: add 'test' to commit group
2023-03-03 15:41:11 +01:00
Max Luebke
bac6a67702
test: add test cases for Field class
2023-03-03 15:41:11 +01:00
Max Luebke
a08565582e
chore: add doctest as dependency
2023-03-03 15:41:11 +01:00
Max Luebke
ca478f8901
feat: add Field data structure as substitution of field declaration
...
using std::vector
2023-03-03 15:41:11 +01:00
Max Lübke
2d956d8526
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
744d98d4c2
ci: add automatic release creation on tag
2023-02-09 17:28:25 +00:00
Max Lübke
3a90b9ce49
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
8abb00a5f5
fix: remove rounding to significant digit +1
2023-02-06 14:04:50 +01:00
Max Lübke
8823a316ac
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
26ba5394a3
build: add dolo_diffu_large to install list
2023-01-24 16:47:56 +01:00
Max Luebke
0222aa8a72
fix: check of existence of objects in R setup list
2023-01-24 16:46:18 +01:00
Max Lübke
28bf539bec
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
d15c84af58
R: enable control of output after each iteration
2023-01-24 16:11:03 +01:00
Max Luebke
37a473d430
data: adapt benchmarks to results of meeting
2023-01-24 16:11:03 +01:00
Max Luebke
50ae55d1c5
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
76d9e0eb5a
fix: calculation of wp_sizes_vector
2023-01-24 16:11:01 +01:00
Marco De Lucia
c20387b3af
Adding scheme to README
2023-01-24 16:10:08 +01:00
Max Lübke
13cc9ba845
fix: set porosity to 1 (hardcoded for now)
2023-01-24 16:10:08 +01:00
Marco De Lucia
cb66842523
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
799df93609
fix: set all values less than 10E-14 to zero
2023-01-24 16:10:08 +01:00
Max Lübke
5bb5774cf0
data: set signif vector and types
2023-01-24 16:10:08 +01:00
Max Lübke
b2f987b03c
build: install scripts under 'share/poet'
2023-01-24 16:10:08 +01:00
Max Lübke
3c6b1f5cfb
use "native" input as rounding without pH/pe calculation
2023-01-24 16:10:08 +01:00
Max Lübke
dfdd890410
adding different cases of prop types and zero value
2023-01-24 16:10:08 +01:00
Marco De Lucia
d58399e595
Fixed filenames in dolo_diffu_inner
2023-01-24 16:10:08 +01:00
Marco De Lucia
ddf3a02a26
Added "bench" dir with dolo_diffu_inner
2023-01-24 16:10:08 +01:00
Max Lübke
f93cdd4191
refactor: pass work packages as constant reference to DHT functions
2023-01-24 16:10:08 +01:00
Max Lübke
596ca9b15f
util: provide conversion of new rounding scheme in ReadDHT
2023-01-24 16:10:08 +01:00
Max Lübke
dc39011df5
build: add option to enable DHT debug infos
2023-01-24 16:10:08 +01:00
Max Lübke
c8ac098efb
fix: handle negative values in keyelement with significant as signed integer
2023-01-24 16:10:08 +01:00
