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
c5a991c4c9
feat: implement SEXP export of Field structure
...
feat: implement NamedVector based on Rcpp::NumericVector
feat: remove hard coded checks and substitute by R hook functions,
defined in the input script
refactor: modify API of DHT_Wrapper/InterpolationModule to expect a work
package structure, where input/output values are stored as 2D vectors
test: add tests for NamedVector
test: extend tests for Field
2023-08-17 10:51:54 +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
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
...
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
Max Lübke
2020a25409
fix: converting to data frames substitutes special chars to '.'
2023-03-07 13:44:41 +01:00
Marco De Lucia
27b94065ea
data: added surfex benchmark
2023-03-07 13:44:41 +01:00
Max Luebke
e6819b59bc
BREAKING CHANGE: Introduce ChemistryModule as extension of PhreeqcRM
2023-03-07 13:44:41 +01:00
Max Luebke
74b1e466df
build: add dolo_diffu_large to install list
2023-01-24 16:47:56 +01:00
Max Luebke
dc75c65b88
R: enable control of output after each iteration
2023-01-24 16:11:03 +01:00
Max Luebke
8ba796c178
data: adapt benchmarks to results of meeting
2023-01-24 16:11:03 +01:00
Marco De Lucia
080b2f99f2
MDL: suppressed warnings (hard coded for now); added 1k*2k simulation bench/dolo_diffu_inner_large
2023-01-24 16:10:08 +01:00
Max Lübke
e71369bcdf
data: set signif vector and types
2023-01-24 16:10:08 +01:00
Max Lübke
5ef755744c
build: install scripts under 'share/poet'
2023-01-24 16:10:08 +01:00
Marco De Lucia
4262e36947
Fixed filenames in dolo_diffu_inner
2023-01-24 16:10:08 +01:00
Marco De Lucia
57af37483f
Added "bench" dir with dolo_diffu_inner
2023-01-24 16:10:08 +01:00
