Max Lübke
e6e159517d
Merge remote-tracking branch 'origin/main' into v0.x
2024-03-06 13:36:36 +00:00
Max Lübke
06c63a125b
Add R library file as string to executable
2024-03-06 12:34:02 +01:00
Max Lübke
f1f56494f9
Remove unused CMakeLists.txt file for SurrogateModels
2024-03-06 12:03:02 +01:00
Max Lübke
58435a94d6
Add OMPI_SKIP_MPICXX to target_compile_definitions in CMakeLists.txt
2024-03-06 12:01:19 +01:00
Max Lübke
a17f40d31c
Add Macros.hpp and RInsidePOET.hpp***
...
***Add RInsidePOET class and RHookFunction template***
***Update include paths in SimParams.hpp***
***Update CMakeLists.txt to link poetlib***
***Update DHT_Wrapper.hpp include path***
***Update DiffusionModule.cpp include path***
***Update poet.cpp include paths***
***Add poet.hpp.in
2024-03-06 11:59:12 +01:00
Max Lübke
599088d964
Refactor build process
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Now include/app paths are combined in the src dir.
2024-03-06 11:26:52 +01:00
Max Lübke
6bd37ccb5e
feat: instead of always storing exact input and output make it dependent
...
on the usage of interpolation
2023-11-01 10:55:46 +01:00
Max Lübke
ba65f72984
feat: make storage of input values in DHT optional
2023-09-08 22:43:52 +02:00
Max Lübke
1b553205cd
fix: output DHT size in megabyte
2023-09-07 09:12:44 +02:00
Marco De Lucia
9c68f9d979
fix: stdout time for diffusion step. Fixes in READMEs
2023-08-26 17:34:21 +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
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 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
Marco De Lucia
8707da42c3
MDL: replaced all cout/cerr with macros MSG, ERRMSG...
2023-08-09 12:22:03 +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
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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
4f9e66253f
fix: remove mass balance check
2023-08-01 23:19:16 +02:00
Max Luebke
0c2597d97f
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 Luebke
f4330adeb7
refactor: remove DHT prop type from input script
2023-07-21 17:24:25 +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 Luebke
55dffe9308
feat: toggle progressbar by commandline option
2023-07-12 12:56:36 +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 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 Luebke
5492560f6c
feat: add surface module
2023-04-17 15:52:27 +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 Luebke
607b939208
fix: remove unnecessary RoundToZero function from DiffusionModule
2023-04-13 17:26:18 +02:00
Max Luebke
956951fc80
fix: wrong key size in DHT
2023-04-05 11:46:10 +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 Luebke
f1a10a9b22
fix: use Murmur hashing for DHT lookup
2023-03-28 14:27:00 +02:00
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
...
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 Luebke
86db80ffc3
feat: add Field data structure as substitution of field declaration
...
using std::vector
2023-03-03 15:41:11 +01:00
Max Luebke
7639bcb045
fix: remove rounding to significant digit +1
2023-02-06 14:04:50 +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
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
