Commit 06378a73 authored by Marco De Lucia's avatar Marco De Lucia
Browse files

fixed demo-kinetic data and demo-kin-surr

parent 8dc0e21e
......@@ -2,5 +2,5 @@ demo-equilibrium 1D reactive transport with equilibrium chemistry
demo-kinetics 1D reactive transport with kinetic chemistry
demo-eq-generate-data Generate the training data set from 3 equilibrium simulations
demo-eq-surr-RF Generate the training data set, train randomForest surrogates and perform Reactive Transport simulations using them
demo-kin-surr Generate the training data set, train randomForest surrogates and perform Reactive Transport simulations using them
### RedModRphree, demo of kinetics
### Licence: LGPL version 2.1
### Time-stamp: "Last modified 2018-05-06 19:23:31 delucia"
### Time-stamp: "Last modified 2018-05-06 21:26:21 delucia"
library(RedModRphree)
db <- RPhreeFile(system.file("extdata", "phreeqc_kin.dat", package="RedModRphree"), is.db=TRUE)
phreeqc::phrLoadDatabaseString(db)
base <- c("SOLUTION 1", "units mol/kgw", "temp 25.0", "water 1",
"pH 9.91 charge", "pe 4.0", "C 1.2279E-04",
......
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