Marco De Lucia
eb2c6fe728
Less and more informative stdout messages
2024-12-13 12:14:55 +01:00
Marco De Lucia
c6f4de2840
Added qs2 as new default format
2024-12-13 12:14:55 +01:00
Max Luebke
ef427513f5
fix: Corrected log10 calculation in master_iteration_end function
2024-09-16 12:05:19 +02:00
Marco De Lucia
e91eefe973
fixing stuff and adding comments
2024-09-12 12:36:40 +02:00
Marco De Lucia
cec00c841b
feat: fast serialization/storage using qs package via --qs flag
2024-09-12 11:39:44 +02:00
hans
675a95e374
feat: Add AI Surrogate functions to V.03
2024-05-27 09:09:01 +02:00
Max Lübke
00392d5d62
Refactor R_lib/kin_r_library.R to use setup$maxiter instead of iter for calculating max digits
2024-04-10 10:24:00 +00:00
Max Lübke
e2a6cf3189
Refactor process to output as DataFrames
2024-04-10 10:24:00 +00:00
Max Luebke
30014494d2
Refactor Field.cpp to use Rcpp DataFrame for conversion to SEXP
2024-04-08 20:31:36 +00:00
Max Luebke
03ae8e50f3
Refactor code for grid creation and result storage
2024-04-04 09:27:52 +00:00
Max Luebke
79fd1ebe9d
Refactor R functions and how they are called
2024-04-03 21:03:10 +00:00
Max Luebke
c7b9ab0b53
Update iteration end message in kin_r_library.R
2024-04-02 14:37:20 +00:00
Max Luebke
08a2baba11
Remove unnecessary includes and update function signature
2024-04-02 09:16:58 +00:00
Max Lübke
7a31858aaf
Add Basic heterogeneous diffusion functionality
2024-03-27 20:34:48 +00:00
Max Lübke
09adce1f8b
Merge remote-tracking branch 'origin/main' into v0.x
2024-03-06 13:36:36 +00:00
Marco De Lucia
b961c26a85
testing staged changes
2023-08-17 14:29:09 +02:00
Max Luebke
999ecac139
feat: introduce LookupKey and rounding schemes
...
feat: implement data clustering using PHT
feat: implement interpolation
refactor: use named vector for DHT species definition and significant digits
data: remove unusable input scripts
data: move Phreeqc database to benchmark dir
refactor: rename dolomite benchmark directory
refactor: remove DHT prop type from input script
2023-08-01 18:34:50 +02:00
Max Luebke
2469e0fa23
refactor: remove DHT prop type from input script
2023-07-21 17:24:25 +02:00
Max Luebke
0222aa8a72
fix: check of existence of objects in R setup list
2023-01-24 16:46:18 +01:00
Max Luebke
d15c84af58
R: enable control of output after each iteration
2023-01-24 16:11:03 +01:00
Max Luebke
76d9e0eb5a
fix: calculation of wp_sizes_vector
2023-01-24 16:11:01 +01:00
Max Luebke
f33ffbd82b
fix: bring back old time and dt output to RDS file
2023-01-06 10:56:05 +01:00
Max Lübke
d40bad186d
refactor: cleanup R library
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
4939decadd
Added license header to all files
2021-02-09 17:58:23 +01:00
Max Lübke
a8ae69b62d
New Readme + moved R libraries to another folder
2021-02-08 13:50:19 +01:00
