24 Commits

Author SHA1 Message Date
Max Luebke
0c2597d97f 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
2914f59c13 build: build one poet library 2023-07-21 12:35:55 +02:00
Max Luebke
18eff17773 build: remove crypto library as dependency 2023-03-31 15:18:56 +02:00
Max Luebke
e6819b59bc BREAKING CHANGE: Introduce ChemistryModule as extension of PhreeqcRM 2023-03-07 13:44:41 +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 Lübke
575d881158 build: add option to enable DHT debug infos 2023-01-24 16:10:08 +01:00
Max Luebke
df08e38b9a fix: missing namespace of phreeqcrm leads to ambiguous macro names 2023-01-06 10:51:02 +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
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
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
49ea231687
rename kin.cpp to poet.cpp + cleanup 2021-02-09 17:31:07 +01:00
Max Lübke
716d996339
added DHT_statistics option + fix depencies 2021-01-28 14:43:36 +01:00
Max Lübke
76a32c12c0
Build libraries for each directory 2021-01-25 17:40:32 +01:00
Max Lübke
24ae1486ad
introduce Profiler 2021-01-13 21:06:09 +01:00
Max Lübke
b461e05d5a
Introducing TransportSim and Parser 2021-01-12 14:48:25 +01:00
Max Lübke
1d9c1d5710
Substitute ChemSim 2021-01-05 18:12:57 +01:00
Max Lübke
3e0c931c41
added Grid Class 2020-12-16 14:15:14 +01:00
Max Lübke
3203bbe70e
Substitute r_utils.* 2020-12-15 14:20:25 +01:00
Max Lübke
89276a4e81
Added "STRICT_R_HEADERS" to CMake 2020-12-02 13:54:22 +01:00
Max Lübke
e255ffa39c
Translated old Makefile to CMake Logic 2020-11-29 19:32:22 +01:00