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Author SHA1 Message Date
Max Luebke
df08e38b9a fix: missing namespace of phreeqcrm leads to ambiguous macro names 2023-01-06 10:51:02 +01:00
Max Luebke
99d937eaf6 refactor: decouple ChemSim to ChemSimSeq and ChemSimPar 
refactor: cleanup of header files
 2023-01-06 10:51:02 +01:00
Max Luebke
fbbefc673f feat: Add phreeqcrm as submodule 2023-01-06 10:51:02 +01:00
Max Luebke
d0307bb48b 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
f7b2e61589 perf: remove unused R libraries/sources 2022-11-10 16:06:12 +01:00
Max Lübke
f78842c6d6 perf: remove RRuntime as there is no need anymore 2022-11-10 16:06:12 +01:00
Max Lübke
aa05eaad76 feat: update input scripts to be used with DHT 2022-11-10 16:06:12 +01:00
Max Lübke
d70073724e refactor: conversion from R into C++ buffer inside worker function 2022-11-10 16:06:11 +01:00
Max Lübke
8f89a5268c 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
8dd2bd192d feat: enable parallelization with tug 2022-11-10 16:06:11 +01:00
Max Lübke
ba80f0be20 fix: differentiate between 1D and 2D boundary condition 2022-11-10 16:06:11 +01:00
Max Lübke
4e248e4564 fix: multiplication with 0 when starting 1D simulation 2022-11-10 16:06:11 +01:00
Max Lübke
3f532562c7 refactor: edit input scripts to be expected input 2022-11-10 16:06:11 +01:00
Max Lübke
b5813d0530 feat: allow more than one iteration in sequential mode 
fix: enable timesteps to simulate
 2022-11-10 16:06:11 +01:00
Max Lübke
2c085faf45 refactor: cleanup R library 2022-11-10 16:06:11 +01:00
Max Lübke
3636070c06 fix: use resize instead of reserve 2022-11-10 16:06:11 +01:00
Max Lübke
28b59ff6c3 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
6483b9c249 build: disable documentation generation per default 2022-11-10 16:02:20 +01:00
Max Lübke
d010301bc1 fix: restore accidentally deleted edits to locate R packages 2022-11-10 16:00:11 +01:00
Max Lübke
d6cd0ac3a8 build: Improve R library handling in CMake 2022-11-10 15:38:38 +01:00
Max Lübke
2457dfc337 ci: Init submodules recursive 2022-10-06 12:15:53 +02:00
Max Lübke
4aca5c5c80 ci: Add generic build job 2022-10-06 11:01:49 +02:00
Max Lübke
67a89cde94 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
2e1a1c2ba4 Update README.md v0.1 2021-02-26 19:35:51 +01:00
Max Lübke
90e14eb0fd
Merge branch 'dev' 2021-02-26 19:33:04 +01:00
Max Lübke
91de8131be
deleted old makefile 2021-02-26 19:23:12 +01:00
Marco De Lucia
0e031532bf Update README.md, changed options syntax from e.g. "-dht" to "--dht" 2021-02-24 14:07:46 +01:00
Marco De Lucia
4710ef40d6 Update Output.md 2021-02-24 13:33:27 +01:00
Marco De Lucia
f835d90b58 Update README.md 2021-02-24 12:52:28 +01:00
Max Lübke
8b9450d3c0 Prepare project to transfer to svn + set poet version with help of 
git/textfiles
 2021-02-19 17:12:53 +01:00
Max Lübke
a5f95c328d update README.md 2021-02-17 19:57:08 +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
7fc3002b5d change dht_collisions to dht_evictions + use option instead of set 2021-02-17 16:24:57 +01:00
Max Lübke
a23356d749 update gitignore 2021-02-16 11:52:55 +01:00
Max Lübke
6c015b7d32 Update README.md 2021-02-09 20:05:09 +01:00
Max Lübke
da71e2ec1e
fixed typo 2021-02-09 20:03:50 +01:00
Max Lübke
cb7a507104
added CMake install process + rearrange data dir 2021-02-09 20:02:03 +01:00
Max Lübke
ff332ab9aa
added CMake install process + rearrange data dir 2021-02-09 19:57:05 +01:00
Max Lübke
9aafe8ebee
print version of POET at program startup 2021-02-09 18:57:57 +01:00
Max Lübke
70c457f519
Added license header to all files 2021-02-09 17:58:23 +01:00
Max Lübke
40454b3839 Add LICENSE 2021-02-09 17:39:10 +01:00
Max Lübke
49ea231687
rename kin.cpp to poet.cpp + cleanup 2021-02-09 17:31:07 +01:00
Max Lübke
89b73c7cd3
added BSD License Header 2021-02-08 19:51:20 +01:00
Max Lübke
0206ff2b5c
Fix linebreaks in directory tree 2021-02-08 13:58:02 +01:00
Max Lübke
51204cb5be
New Readme + moved R libraries to another folder 2021-02-08 13:50:19 +01:00
Max Lübke
430b78a21d
add Doxyfile 2021-02-03 10:28:08 +01:00
Max Lübke
33d35eafda
cleanup of kin.cpp 2021-02-02 18:26:29 +01:00
Max Lübke
049120ae96
documented libraries 2021-02-02 18:04:15 +01:00
Max Lübke
98ee035c38
Documenting SimParams 2021-02-02 14:15:21 +01:00
Max Lübke
a801dc7512
Merge branch 'dev' into doc 2021-02-02 14:00:13 +01:00