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487 Commits 14 Branches 10 Tags
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256 Commits

Author SHA1 Message Date
Max Luebke
788513ff83 fix: missing namespace of phreeqcrm leads to ambiguous macro names 2023-01-06 10:51:02 +01:00
Max Luebke
af9a216e83 refactor: decouple ChemSim to ChemSimSeq and ChemSimPar 
refactor: cleanup of header files
 2023-01-06 10:51:02 +01:00
Max Luebke
100b3746f5 fix: replace deprecated calls to MD5 functions 
perf: keep EVP context in memory during lifetime of DHT_Wrapper
 2022-12-01 16:46:58 +01:00
Max Lübke
794cefdda3 perf: remove RRuntime as there is no need anymore 2022-11-10 16:06:12 +01:00
Max Lübke
d406409fae refactor: conversion from R into C++ buffer inside worker function 2022-11-10 16:06:11 +01:00
Max Lübke
bf9f369846 refactor: cleanup of code, renaming of chemsitry module function and some output added to the diffusion module 2022-11-10 16:06:11 +01:00
Max Lübke
5a89c78bbc feat: enable parallelization with tug 2022-11-10 16:06:11 +01:00
Max Lübke
5a0749f06e fix: differentiate between 1D and 2D boundary condition 2022-11-10 16:06:11 +01:00
Max Lübke
34a4f1eaf2 fix: multiplication with 0 when starting 1D simulation 2022-11-10 16:06:11 +01:00
Max Lübke
776e7d14c7 feat: allow more than one iteration in sequential mode 
fix: enable timesteps to simulate
 2022-11-10 16:06:11 +01:00
Max Lübke
dd32c0263e fix: use resize instead of reserve 2022-11-10 16:06:11 +01:00
Max Lübke
871a2ec82a BREAKING CHANGE: integrate 'tug' as diffusion module 
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
0ade3762f0 build: Improve R library handling in CMake 2022-11-10 15:38:38 +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
caaf33931e deleted old makefile 2021-02-26 19:23:12 +01:00
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
3bbc2f325d new file describing output of POET + added target doxygen to CMake 2021-02-17 16:26:14 +01:00
Max Lübke
6246969041 change dht_collisions to dht_evictions + use option instead of set 2021-02-17 16:24:57 +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
Max Lübke
89068efb0e added BSD License Header 2021-02-08 19:51:20 +01:00
Max Lübke
a8ae69b62d New Readme + moved R libraries to another folder 2021-02-08 13:50:19 +01:00
Max Lübke
db3cb4ba29 cleanup of kin.cpp 2021-02-02 18:26:29 +01:00
Max Lübke
c8bb7262a0 documented libraries 2021-02-02 18:04:15 +01:00
Max Lübke
991f825dc6 Documenting SimParams 2021-02-02 14:15:21 +01:00
Max Lübke
12f7820f91 Merge branch 'dev' into doc 2021-02-02 14:00:13 +01:00
Max Lübke
8830d3acb7 Documented Parser 2021-02-02 13:43:57 +01:00
Max Lübke
007d4b0375 Substitute struct SimParams through class 2021-02-02 13:42:10 +01:00
Max Lübke
e8bdc8ec50 Added dht_signif_digits to simparams 2021-02-02 12:17:35 +01:00
Max Lübke
ac7459067f Documented RRuntime 2021-02-01 16:45:13 +01:00
Max Lübke
f0516eb681 commenting DHT_Wrapper and change compiler macro 2021-02-01 11:28:26 +01:00
Max Lübke
dfa81b7fdd change handling of compiler macro 2021-02-01 11:08:17 +01:00
Max Lübke
b85575a69b use better communicator creation 2021-01-28 15:16:35 +01:00
Max Lübke
b96131fa71 added DHT_statistics option + fix depencies 2021-01-28 14:43:36 +01:00
Max Lübke
a21430f3d0 fix index datatypes 2021-01-28 14:41:36 +01:00
Max Lübke
9181003fa0 substitute add_defintions by target_compile_defintions 2021-01-25 18:03:22 +01:00
Max Lübke
3482977f6c Build libraries for each directory 2021-01-25 17:40:32 +01:00
Max Lübke
861e18d382 Fix freeing of DHT_Wrapper in Destructor if DHT is disabled 2021-01-21 14:07:35 +01:00
Max Lübke
76b963b4c7 introduce Profiler 2021-01-13 21:06:09 +01:00
Max Lübke
183c4cc5f7 fixed wrong datatype in finishWork() 2021-01-13 21:04:48 +01:00
Max Lübke
59e99b3d0a documentation in DHT and compiler macro DHT_STATISTICS 2021-01-13 21:02:57 +01:00
Max Lübke
a7ac708977 fixed typo in constructor 2021-01-13 19:04:28 +01:00
Max Lübke
5fed0a4a3e Introducing TransportSim and Parser 2021-01-12 14:48:25 +01:00
Max Lübke
19b4b98b44 Cleanup old source files 2021-01-08 17:54:31 +01:00
Max Lübke
6905154f5e Substitute worker.c with ChemWorker.cpp 2021-01-08 17:53:16 +01:00
Max Lübke
0ed1ea9fd8 Substitute ChemSim 2021-01-05 18:12:57 +01:00
Max Lübke
939a5495ef removed RRuntime and grid as a function parameter 2020-12-21 12:32:33 +01:00
Max Lübke
0b3583e59f Declare new type SimParams as struct 2020-12-17 18:16:13 +01:00