Max Luebke
76d9e0eb5a
fix: calculation of wp_sizes_vector
2023-01-24 16:11:01 +01:00
Marco De Lucia
c20387b3af
Adding scheme to README
2023-01-24 16:10:08 +01:00
Max Lübke
13cc9ba845
fix: set porosity to 1 (hardcoded for now)
2023-01-24 16:10:08 +01:00
Marco De Lucia
cb66842523
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
799df93609
fix: set all values less than 10E-14 to zero
2023-01-24 16:10:08 +01:00
Max Lübke
5bb5774cf0
data: set signif vector and types
2023-01-24 16:10:08 +01:00
Max Lübke
b2f987b03c
build: install scripts under 'share/poet'
2023-01-24 16:10:08 +01:00
Max Lübke
3c6b1f5cfb
use "native" input as rounding without pH/pe calculation
2023-01-24 16:10:08 +01:00
Max Lübke
dfdd890410
adding different cases of prop types and zero value
2023-01-24 16:10:08 +01:00
Marco De Lucia
d58399e595
Fixed filenames in dolo_diffu_inner
2023-01-24 16:10:08 +01:00
Marco De Lucia
ddf3a02a26
Added "bench" dir with dolo_diffu_inner
2023-01-24 16:10:08 +01:00
Max Lübke
f93cdd4191
refactor: pass work packages as constant reference to DHT functions
2023-01-24 16:10:08 +01:00
Max Lübke
596ca9b15f
util: provide conversion of new rounding scheme in ReadDHT
2023-01-24 16:10:08 +01:00
Max Lübke
dc39011df5
build: add option to enable DHT debug infos
2023-01-24 16:10:08 +01:00
Max Lübke
c8ac098efb
fix: handle negative values in keyelement with significant as signed integer
2023-01-24 16:10:08 +01:00
Max Lübke
48327d29b1
feat: use new rounding function and datatype for keys
2023-01-24 16:10:08 +01:00
Max Lübke
2773a2837f
refactor: move key and data size calculation to DHT_Wrapper
2023-01-24 16:10:08 +01:00
Max Lübke
9645d31332
perf: return SimParams as const
2023-01-24 16:10:08 +01:00
Max Lübke
bd968bd778
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
8747917832
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
1b3420c35e
refactor: remove comments from code in Grid class
2023-01-23 15:06:27 +01:00
Max Lübke
5163e5f928
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
376e7eab80
refactor: make Grid class a bit more generic
2023-01-23 14:57:26 +01:00
Marco De Lucia
77b3f13068
doc: update README.md
2023-01-06 10:56:05 +01:00
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
