Marco De Lucia
5429696d89
Adding scheme to README
2023-01-24 16:10:08 +01:00
Max Lübke
9ffe3da7e1
fix: set porosity to 1 (hardcoded for now)
2023-01-24 16:10:08 +01:00
Marco De Lucia
080b2f99f2
MDL: suppressed warnings (hard coded for now); added 1k*2k simulation bench/dolo_diffu_inner_large
2023-01-24 16:10:08 +01:00
Max Lübke
9e4aea38e3
fix: set all values less than 10E-14 to zero
2023-01-24 16:10:08 +01:00
Max Lübke
e71369bcdf
data: set signif vector and types
2023-01-24 16:10:08 +01:00
Max Lübke
5ef755744c
build: install scripts under 'share/poet'
2023-01-24 16:10:08 +01:00
Max Lübke
526d61eaa7
use "native" input as rounding without pH/pe calculation
2023-01-24 16:10:08 +01:00
Max Lübke
cd5bbfa9a3
adding different cases of prop types and zero value
2023-01-24 16:10:08 +01:00
Marco De Lucia
4262e36947
Fixed filenames in dolo_diffu_inner
2023-01-24 16:10:08 +01:00
Marco De Lucia
57af37483f
Added "bench" dir with dolo_diffu_inner
2023-01-24 16:10:08 +01:00
Max Lübke
5ef228c27f
refactor: pass work packages as constant reference to DHT functions
2023-01-24 16:10:08 +01:00
Max Lübke
1d37709e98
util: provide conversion of new rounding scheme in ReadDHT
2023-01-24 16:10:08 +01:00
Max Lübke
575d881158
build: add option to enable DHT debug infos
2023-01-24 16:10:08 +01:00
Max Lübke
4118fe4ed0
fix: handle negative values in keyelement with significant as signed integer
2023-01-24 16:10:08 +01:00
Max Lübke
14cb03e746
feat: use new rounding function and datatype for keys
2023-01-24 16:10:08 +01:00
Max Lübke
38d6b299a9
refactor: move key and data size calculation to DHT_Wrapper
2023-01-24 16:10:08 +01:00
Max Lübke
f32a3f3342
perf: return SimParams as const
2023-01-24 16:10:08 +01:00
Max Lübke
6a911962db
Merge branch 'fix-copy-fields' into 'main'
...
fix: do pre-copy of fields in grid class
See merge request sec34/port!13
2023-01-23 16:41:12 +01:00
Max Luebke
16eb78ae31
fix: do pre-copy of fields in grid class
...
The idea is to later define chains of module in the input script by
setting an input and output field and the according function to call.
Currently, the code is not ready for such a chain, but the change is
done in advance.
2023-01-23 16:36:54 +01:00
Max Luebke
f53a69f014
refactor: remove comments from code in Grid class
2023-01-23 15:06:27 +01:00
Max Lübke
c25126f877
Merge branch 'refactor_grid' into 'main'
...
refactor: make Grid class a bit more generic
See merge request sec34/port!12
2023-01-23 14:58:02 +01:00
Max Luebke
689c55bf32
refactor: make Grid class a bit more generic
2023-01-23 14:57:26 +01:00
Marco De Lucia
fc20d7a7f0
doc: update README.md
2023-01-06 10:56:05 +01:00
Max Luebke
dc036cfcee
fix: bring back old time and dt output to RDS file
2023-01-06 10:56:05 +01:00
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
