Max Lübke
4a3a3e3b6b
feat: Implement checkpointing
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Co-authored-by: hmars-t <hmars-t@users.noreply.github.com>
2025-07-02 13:44:49 +02:00
Max Lübke
a14095622f
fix: remove duplicate flag for saving output as .qs file in parseInitValues
2024-12-20 10:05:49 +01:00
Max Lübke
eb384b48c0
Merge branch 'main' into 'ml/fix-interpolation'
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# Conflicts:
# src/initializer.cpp
# src/poet.cpp
# src/poet.hpp.in
2024-12-20 09:22:55 +01:00
Max Luebke
d661da13bd
feat: add dht_snaps and dht_out_dir parameters to ChemistryModule and main function
2024-12-20 09:21:17 +01:00
Max Lübke
ac96f24a33
feat: add has_het_ids parameter to DHT initialization and related functions
2024-12-20 09:21:17 +01:00
Max Luebke
43d2a846c7
[wip] fix: add base_totals to SurrogateSetup
2024-12-20 09:21:16 +01:00
Marco De Lucia
dd9cc5e59f
reverting <format> since gcc < 13 does not support it
2024-12-20 09:21:16 +01:00
Marco De Lucia
0437670e05
Less and more informative stdout messages
2024-12-20 09:21:16 +01:00
Marco De Lucia
9f89edd492
Added qs2 as new default format
2024-12-20 09:21:15 +01:00
Marco De Lucia
03385d3caf
reverting <format> since gcc < 13 does not support it
2024-12-13 12:14:55 +01:00
Marco De Lucia
a519edd102
Less and more informative stdout messages
2024-12-13 12:14:55 +01:00
Marco De Lucia
61d3a8a227
Added qs2 as new default format
2024-12-13 12:14:55 +01:00
Max Luebke
0f6ff06c4a
feat: use CLI11 as argument parser
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feat: improve poet_initializer
2024-09-16 11:57:00 +02:00
Marco De Lucia
1e14ba6d69
fixed damn source_R
2024-09-12 16:15:21 +02:00
Marco De Lucia
63a4918313
fix: removed all Time-stamp lines from src/
2024-09-12 14:56:09 +02:00
Marco De Lucia
fc7a78be54
Fixes in README and poet.cpp
2024-09-12 14:53:58 +02:00
Max Lübke
962f6dbbdd
refactor: Rework deferred R function evaluation
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applied commit
fix: Unique pointer behaviour of `global_rt_setup` was messed up
2024-09-12 14:48:05 +02:00
Marco De Lucia
ddf8e97ebe
fixed initializer. Format is given by extension in the -o argument
2024-09-12 14:42:59 +02:00
Marco De Lucia
1b9906ddbf
feat: fast serialization/storage using qs package via --qs flag
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rebasing/merging
2024-09-12 14:42:24 +02:00
Marco De Lucia
80fc755ceb
fix: removed all Time-stamp lines from src/
2024-09-12 12:36:40 +02:00
Marco De Lucia
04958194c4
Fixing rebase conflicts
2024-09-12 12:36:11 +02:00
Max Lübke
9122e51980
refactor: Rework deferred R function evaluation
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fix: Unique pointer behaviour of `global_rt_setup` was messed up
2024-09-12 11:40:03 +02:00
Marco De Lucia
fec92ad3d3
fixed initializer. Format is given by extension in the -o argument
2024-09-12 11:40:03 +02:00
Marco De Lucia
8d0be5ae0d
feat: fast serialization/storage using qs package via --qs flag
2024-09-12 11:39:44 +02:00
Max Lübke
cc943371a1
fix: distribute species names across all processes
2024-08-29 08:35:11 +02:00
hans
a65f4992ae
Fix: merge issues
2024-06-05 16:43:33 +02:00
hans
742ac96406
Merge branch 'origin/ai-surrogate-v03-temp-mdl' into ai_surrogate_merge
2024-06-05 15:59:00 +02:00
Marco De Lucia
b75b37e0f8
MDL: AI model seems correctly updated/stored
2024-05-30 13:37:28 +02:00
hans
f8864d991a
docs: updated docs for v03
2024-05-30 13:20:50 +02:00
Marco De Lucia
69ebc516ba
MDL: some fixes and some more output to make AI run
2024-05-30 11:32:08 +02:00
hans
53b9479cad
feat: Add AI Surrogate functions to V.03
2024-05-27 15:22:29 +02:00
hans
95cb95998e
feat: Add AI Surrogate functions to V.03
2024-05-27 09:09:01 +02:00
Max Lübke
480dd146f4
BREAKING CHANGE: Enable Surface/Exchange using new API of PhreeqcEngine
2024-05-06 10:01:57 +00:00
Max Lübke
f4661a591c
Fix diffusion and chem field update order in RunMasterLoop
2024-04-10 10:24:00 +00:00
Max Lübke
103b26a097
Refactor process to output as DataFrames
2024-04-10 10:24:00 +00:00
Max Luebke
e27ce205fb
Add minimal flag to importList function in InitialList
2024-04-08 20:47:38 +00:00
Max Luebke
8856825c23
Refactor Field.cpp to use Rcpp DataFrame for conversion to SEXP
2024-04-08 20:31:36 +00:00
Max Luebke
fa916cc66e
Refactor code according to static analyzers
2024-04-08 09:19:48 +00:00
Max Luebke
6a88de5c5d
Refactor code for grid creation and result storage
2024-04-04 09:27:52 +00:00
Max Luebke
5ce40617b8
Refactor R functions and how they are called
2024-04-03 21:03:10 +00:00
Max Luebke
ffd076047d
Update chem.GetField() to chem.getField() in poet.cpp
2024-04-03 10:47:32 +00:00
Max Luebke
8da05bcf4a
Refactor to wrap everything in main function into scope, to ensure DHT is freed before MPI_FInalize
2024-04-02 20:47:32 +00:00
Max Luebke
a9a798dd4a
Add profiling data for DHT and interpolation
2024-04-02 14:17:59 +00:00
Max Luebke
c667bee7d8
Add DHT functionality, still need to be validated
2024-04-02 14:14:19 +00:00
Max Luebke
1353460c11
Update dependencies and refactor code
2024-04-02 11:41:38 +00:00
Max Luebke
a2dc30962f
Remove unnecessary includes and update function signature
2024-04-02 09:16:58 +00:00
Max Lübke
2c51cd90ef
Update dependencies and refactor code
2024-03-28 14:23:20 +00:00
Max Lübke
0bfc95bb52
Add Basic heterogeneous diffusion functionality
2024-03-27 20:34:48 +00:00
Max Lübke
06c63a125b
Add R library file as string to executable
2024-03-06 12:34:02 +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
