Max Luebke
32d35190cb
fix: write fields using R after chem simulation
2023-03-07 13:44:41 +01:00
Max Luebke
e6819b59bc
BREAKING CHANGE: Introduce ChemistryModule as extension of PhreeqcRM
2023-03-07 13:44:41 +01:00
Max Luebke
a493054f9d
refactor: In SimParams, relocate trivial getter/setters to header file
...
refactor: change vector data types of dht_signif_vector and
dht_prop_type_vector to both uint32
2023-03-06 18:07:41 +01:00
Max Luebke
fc79d1d0a8
refactor: DHT_Wrapper class
...
feat: add setters to DHT_Wrapper to set prop type vector and signif
vector
refactor: remove dependency from SimParams structure
feat: introduce new header defining DHT types
2023-03-06 18:07:41 +01:00
Max Luebke
86db80ffc3
feat: add Field data structure as substitution of field declaration
...
using std::vector
2023-03-03 15:41:11 +01:00
Max Luebke
7639bcb045
fix: remove rounding to significant digit +1
2023-02-06 14:04:50 +01:00
Max Luebke
8142a10d00
refactor: combine DHT results to one struct
...
This struct stores both used keys and resulting data with work package
size and Phreeqc mapping during call of `checkDHT`.
This makes a second fuzzing of keys during `fillDHT` obsolete.
2023-01-24 16:11:03 +01:00
Max Luebke
f7404110ab
fix: calculation of wp_sizes_vector
2023-01-24 16:11:01 +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
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
Max Lübke
5ef228c27f
refactor: pass work packages as constant reference to DHT functions
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 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 Luebke
689c55bf32
refactor: make Grid class a bit more generic
2023-01-23 14:57:26 +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
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
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
f78842c6d6
perf: remove RRuntime as there is no need anymore
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
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
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
d6cd0ac3a8
build: Improve R library handling in CMake
2022-11-10 15:38:38 +01:00
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
91de8131be
deleted old makefile
2021-02-26 19:23:12 +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
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
cb7a507104
added CMake install process + rearrange data dir
2021-02-09 20:02:03 +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
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
