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
Marco De Lucia
ccd54aaa09
Merge branch '17-new-barite-benchmarks-for-fgcs-journal' into 'main'
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Resolve "New barite benchmarks for FGCS journal"
Closes #17
See merge request naaice/poet!44
2025-05-19 12:50:30 +02:00
Max Luebke
85e93955bc
Add option to toggle tug numerical solver approach
2025-01-29 15:53:32 +01:00
Max Lübke
5a7779e8de
refactor: clean up CMakeLists.txt by removing unnecessary target_sources indentation
2025-01-09 12:18:13 +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
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 Luebke
c42b335aae
Refactor build file generation
2024-04-08 20:31:36 +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
7d4c14c356
Add Init/CMakeLists.txt and ChemistryInit.cpp files, and update initializer.cpp and InitialList.hpp
2024-03-20 23:46:57 +00:00
Max Lübke
2797351057
Update include statement and add CMakeLists.txt for DataStructures
2024-03-20 22:33:23 +00:00
Max Luebke
60c3d7b022
Save latest changes, boundaries still missing or incomplete
2024-03-19 08:12:20 +00:00
Max Luebke
5357bdf975
Remove installation of poet binary
2024-03-13 16:58:37 +01:00
Max Luebke
bcabe5bcc4
Add iphreeqc and init_r_lib submodules, and make necessary changes to CMakeLists.txt and src/initializer.cpp
2024-03-13 16:57:44 +01:00
Max Lübke
06c63a125b
Add R library file as string to executable
2024-03-06 12:34:02 +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***
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***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 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
2914f59c13
build: build one poet library
2023-07-21 12:35:55 +02:00
Max Luebke
18eff17773
build: remove crypto library as dependency
2023-03-31 15:18:56 +02:00
Max Luebke
e6819b59bc
BREAKING CHANGE: Introduce ChemistryModule as extension of PhreeqcRM
2023-03-07 13:44:41 +01:00
Max Luebke
86db80ffc3
feat: add Field data structure as substitution of field declaration
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using std::vector
2023-03-03 15:41:11 +01:00
Max Lübke
575d881158
build: add option to enable DHT debug infos
2023-01-24 16:10:08 +01:00
Max Luebke
df08e38b9a
fix: missing namespace of phreeqcrm leads to ambiguous macro names
2023-01-06 10:51:02 +01:00
Max Lübke
28b59ff6c3
BREAKING CHANGE: integrate 'tug' as diffusion module
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It is now possible to run a simulation for one iteration in sequential
mode without the use of Rmufits.
According scripts are provided.
refactor: TransportSim renamed to DiffusionModule
refactor: parsing of R input script is now done outside of simulation
modules (except ChemSim)
2022-11-10 16:06:08 +01:00
Max Lübke
d6cd0ac3a8
build: Improve R library handling in CMake
2022-11-10 15:38:38 +01:00
Max Lübke
67a89cde94
build: move headers to include
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build: instead of several libraries, build one lib and link to poet
application
2022-10-05 12:16:53 +02:00
Max Lübke
8b9450d3c0
Prepare project to transfer to svn + set poet version with help of
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git/textfiles
2021-02-19 17:12:53 +01:00
Max Lübke
f7d94218c6
new file describing output of POET + added target doxygen to CMake
2021-02-17 16:26:14 +01:00
Max Lübke
cb7a507104
added CMake install process + rearrange data dir
2021-02-09 20:02:03 +01:00
Max Lübke
9aafe8ebee
print version of POET at program startup
2021-02-09 18:57:57 +01:00
Max Lübke
49ea231687
rename kin.cpp to poet.cpp + cleanup
2021-02-09 17:31:07 +01:00
Max Lübke
716d996339
added DHT_statistics option + fix depencies
2021-01-28 14:43:36 +01:00
Max Lübke
76a32c12c0
Build libraries for each directory
2021-01-25 17:40:32 +01:00
Max Lübke
24ae1486ad
introduce Profiler
2021-01-13 21:06:09 +01:00
Max Lübke
b461e05d5a
Introducing TransportSim and Parser
2021-01-12 14:48:25 +01:00
Max Lübke
1d9c1d5710
Substitute ChemSim
2021-01-05 18:12:57 +01:00
Max Lübke
3e0c931c41
added Grid Class
2020-12-16 14:15:14 +01:00
Max Lübke
3203bbe70e
Substitute r_utils.*
2020-12-15 14:20:25 +01:00
Max Lübke
89276a4e81
Added "STRICT_R_HEADERS" to CMake
2020-12-02 13:54:22 +01:00
Max Lübke
e255ffa39c
Translated old Makefile to CMake Logic
2020-11-29 19:32:22 +01:00
