Marco De Lucia
a3bd0cef6d
refactor: apply changes from MDL
2023-01-06 10:56:05 +01:00
Max Luebke
2e675d8139
fix: setting of inner constant cells
2023-01-06 10:56:05 +01:00
Max Luebke
ded8fbd0ae
BREAKING CHANGE: utilize PhreeqcRM and bring back old DHT bindings
2023-01-06 10:56:01 +01:00
Max Luebke
8d13748545
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
aed9cb3395
BREAKING CHANGE: substitute R bindings of Phreeqc by PhreeqcRM
2023-01-06 10:51:03 +01:00
Max Lübke
951aaf06db
perf: delete DHT object after shutdown
2023-01-06 10:51:03 +01:00
Max Luebke
048bf95d25
chore: remove unusable input script from install macro
2023-01-06 10:51:02 +01:00
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
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
