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252 Commits 14 Branches 10 Tags
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16 Commits

Author SHA1 Message Date
Max Luebke
164406ff25 feat: enable interpolation without DHT lookup 2023-08-10 14:15:26 +02:00
Max Luebke
6d94141c98 chore: update doctest to version 2.4.11 2023-08-01 18:47:56 +02:00
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
e988c8c6d4 fix: remove non-standard bits headers from submodules 2023-05-22 11:17:21 +02:00
Max Lübke
f9da7830f2 fix: re-enable DHT correctly 
feat: store excess H and O instead of total values
 2023-04-24 16:58:48 +02:00
Max Luebke
5492560f6c feat: add surface module 2023-04-17 15:52:27 +02:00
Max Luebke
3fdf586e0d BREAKING CHANGE: use dump mechanism of PhreeqcRM-GFZ to get and set 
internal variables

feat: enables exchange

data: added exchange only benchmark

data: applied required changes to benchmarks
 2023-04-17 12:37:43 +02:00
Max Luebke
e6819b59bc BREAKING CHANGE: Introduce ChemistryModule as extension of PhreeqcRM 2023-03-07 13:44:41 +01:00
Max Lübke
c3ad9a06ca chore: update PhreeqcRM-GFZ dependency 2023-03-03 15:51:54 +01:00
Max Luebke
1129761df3 chore: add doctest as dependency 2023-03-03 15:41:11 +01:00
Max Luebke
f7404110ab fix: calculation of wp_sizes_vector 2023-01-24 16:11:01 +01:00
Max Luebke
689c55bf32 refactor: make Grid class a bit more generic 2023-01-23 14:57:26 +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
aed9cb3395 BREAKING CHANGE: substitute R bindings of Phreeqc by PhreeqcRM 2023-01-06 10:51:03 +01:00
Max Luebke
fbbefc673f feat: Add phreeqcrm as submodule 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