hans
a55a7ae095
feat: Add AI Surrogate functions to V.03
2024-05-27 09:09:01 +02:00
Max Lübke
2b69da0c5d
BREAKING CHANGE: Enable Surface/Exchange using new API of PhreeqcEngine
2024-05-06 10:01:57 +00:00
Max Lübke
b3fd383674
Fix diffusion and chem field update order in RunMasterLoop
2024-04-10 10:24:00 +00:00
Max Lübke
32f7f5af70
Refactor process to output as DataFrames
2024-04-10 10:24:00 +00:00
Max Luebke
41d00fd079
Add minimal flag to importList function in InitialList
2024-04-08 20:47:38 +00:00
Max Luebke
830e139122
Refactor Field.cpp to use Rcpp DataFrame for conversion to SEXP
2024-04-08 20:31:36 +00:00
Max Luebke
2c7fc089cc
Refactor code according to static analyzers
2024-04-08 09:19:48 +00:00
Max Luebke
e891774d6c
Refactor code for grid creation and result storage
2024-04-04 09:27:52 +00:00
Max Luebke
6d7666abbc
Refactor R functions and how they are called
2024-04-03 21:03:10 +00:00
Max Luebke
d389347ad3
Update chem.GetField() to chem.getField() in poet.cpp
2024-04-03 10:47:32 +00:00
Max Luebke
4784fc3e12
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
bda9993bcb
Add profiling data for DHT and interpolation
2024-04-02 14:17:59 +00:00
Max Luebke
47aa43d1e1
Add DHT functionality, still need to be validated
2024-04-02 14:14:19 +00:00
Max Luebke
fb725f0b50
Update dependencies and refactor code
2024-04-02 11:41:38 +00:00
Max Luebke
53f68a2e56
Remove unnecessary includes and update function signature
2024-04-02 09:16:58 +00:00
Max Lübke
a345191d5a
Update dependencies and refactor code
2024-03-28 14:23:20 +00:00
Max Lübke
38a631f0ab
Add Basic heterogeneous diffusion functionality
2024-03-27 20:34:48 +00:00
Max Lübke
ab83d8c350
Add R library file as string to executable
2024-03-06 12:34:02 +01:00
Max Lübke
7abf987123
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
62412e8d87
Refactor build process
...
Now include/app paths are combined in the src dir.
2024-03-06 11:26:52 +01:00
Max Lübke
1783160ba7
build: move headers to include
...
build: instead of several libraries, build one lib and link to poet
application
2022-10-05 12:16:53 +02:00
Max Lübke
89b958970d
Prepare project to transfer to svn + set poet version with help of
...
git/textfiles
2021-02-19 17:12:53 +01:00
Max Lübke
c223d9fd9a
added CMake install process + rearrange data dir
2021-02-09 20:02:03 +01:00
Max Lübke
66bef8148a
print version of POET at program startup
2021-02-09 18:57:57 +01:00
Max Lübke
4939decadd
Added license header to all files
2021-02-09 17:58:23 +01:00
Max Lübke
5b822eec5a
rename kin.cpp to poet.cpp + cleanup
2021-02-09 17:31:07 +01:00
