Max Luebke
164406ff25
feat: enable interpolation without DHT lookup
2023-08-10 14:15:26 +02:00
Max Luebke
88662d6b2e
fix: pass copy of map to DHT parsing
2023-08-04 13:40:20 +02:00
Max Luebke
52d8b164e6
fix: use output index also for weighting
2023-08-03 21:23:50 +02:00
Max Luebke
f7d8f8751a
fix: apply weights to output values (rates) instead of input values
2023-08-03 17:22:59 +02:00
Max Luebke
0c2597d97f
feat: introduce LookupKey and rounding schemes
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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
bae5e96b7a
refactor: remove support for PhreeqcRM support
2023-07-21 12:43:57 +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
89fc291e79
BREAKING CHANGE: use Field data structure instead of plain 1D vector to
...
store concentrations
2023-04-24 14:25:55 +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
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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
