13 Commits

Author SHA1 Message Date
Marco De Lucia
8e9a31a29e more eqs and text 2023-08-26 13:41:00 +02:00
Marco De Lucia
7b1b247253 eqs and text 2023-08-26 13:10:17 +02:00
Marco De Lucia
273844d073 some fixes 2023-08-26 12:50:12 +02:00
Marco De Lucia
a9a4fe0d0e Revert "Update file README.org"
This reverts commit 462cf2f08e7426661b419a2f52bb48287f847d94
2023-08-26 12:49:31 +02:00
Marco De Lucia
462cf2f08e Update file README.org 2023-08-26 12:32:47 +02:00
Marco De Lucia
a57301d641 doc: testing src_latex in README.org 2023-08-26 12:29:31 +02:00
Marco De Lucia
5094233e12 doc: added bench/barite/README.org 2023-08-26 12:26:52 +02:00
Max Luebke
37ee74faaf perf: remove unused parameters from paramlist and parameter structure
doc: update doc to latest changes

data: update benchmarks to latest changes
2023-08-02 14:00:14 +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 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
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
5c540af2bf build: add benchmarks to install target 2023-04-13 17:17:36 +02:00
Marco De Lucia
38abf31632 add bench/barite 2023-04-11 14:58:48 +02:00