Max Luebke
f33ffbd82b
fix: bring back old time and dt output to RDS file
2023-01-06 10:56:05 +01:00
Marco De Lucia
ab786e75da
refactor: apply changes from MDL
2023-01-06 10:56:05 +01:00
Max Luebke
f479f82a07
fix: setting of inner constant cells
2023-01-06 10:56:05 +01:00
Max Luebke
bae7d769e7
BREAKING CHANGE: utilize PhreeqcRM and bring back old DHT bindings
2023-01-06 10:56:01 +01:00
Max Luebke
f7dd417c14
refactor: rename ChemSim to ChemSeq
...
refactor: introduce new base class BaseChemModule for both sequential
and parallel chemistry module
refactor: iterative loop of simulations in poet application via template
function
This should make the application code more readable.
2023-01-06 10:51:03 +01:00
Max Luebke
f2c81df096
BREAKING CHANGE: substitute R bindings of Phreeqc by PhreeqcRM
2023-01-06 10:51:03 +01:00
Max Lübke
7897c27644
perf: delete DHT object after shutdown
2023-01-06 10:51:03 +01:00
Max Luebke
0a8d2613e6
chore: remove unusable input script from install macro
2023-01-06 10:51:02 +01:00
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
c8453e48ca
feat: Add phreeqcrm as submodule
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
756149c061
perf: remove unused R libraries/sources
2022-11-10 16:06:12 +01:00
Max Lübke
794cefdda3
perf: remove RRuntime as there is no need anymore
2022-11-10 16:06:12 +01:00
Max Lübke
d8e3a79034
feat: update input scripts to be used with DHT
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
5b4384ba86
refactor: edit input scripts to be expected input
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
d40bad186d
refactor: cleanup R library
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
54681134b7
build: disable documentation generation per default
2022-11-10 16:02:20 +01:00
Max Lübke
e12510c4c2
fix: restore accidentally deleted edits to locate R packages
2022-11-10 16:00:11 +01:00
Max Lübke
0ade3762f0
build: Improve R library handling in CMake
2022-11-10 15:38:38 +01:00
Max Lübke
641e85bb85
ci: Init submodules recursive
2022-10-06 12:15:53 +02:00
Max Lübke
4aac153ed8
ci: Add generic build job
2022-10-06 11:01:49 +02:00
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
0dee58b0de
Update README.md
2021-02-26 19:35:51 +01:00
Max Lübke
60a8c11cec
Merge branch 'dev'
2021-02-26 19:33:04 +01:00
Max Lübke
caaf33931e
deleted old makefile
2021-02-26 19:23:12 +01:00
Marco De Lucia
6c6cb19677
Update README.md, changed options syntax from e.g. "-dht" to "--dht"
2021-02-24 14:07:46 +01:00
Marco De Lucia
272933c63f
Update Output.md
2021-02-24 13:33:27 +01:00
Marco De Lucia
8b7d0381f1
Update README.md
2021-02-24 12:52:28 +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
e9fdff456c
update README.md
2021-02-17 19:57:08 +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
a580f450c0
update gitignore
2021-02-16 11:52:55 +01:00
Max Lübke
e0c0381681
Update README.md
2021-02-09 20:05:09 +01:00
Max Lübke
19c0442e46
fixed typo
2021-02-09 20:03:50 +01:00
Max Lübke
c223d9fd9a
added CMake install process + rearrange data dir
2021-02-09 20:02:03 +01:00
Max Lübke
cce73d4d61
added CMake install process + rearrange data dir
2021-02-09 19:57:05 +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
09255f04c4
Add LICENSE
2021-02-09 17:39:10 +01:00
Max Lübke
5b822eec5a
rename kin.cpp to poet.cpp + cleanup
2021-02-09 17:31:07 +01:00
