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Marco De Lucia
RedModRphree
Commits
06378a73
Commit
06378a73
authored
May 06, 2018
by
Marco De Lucia
Browse files
fixed demo-kinetic data and demo-kin-surr
parent
8dc0e21e
Changes
2
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demo/00Index
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06378a73
...
...
@@ -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
demo/demo-kinetics.R
View file @
06378a73
### RedModRphree, demo of kinetics
### Licence: LGPL version 2.1
### Time-stamp: "Last modified 2018-05-06
19:23:3
1 delucia"
### Time-stamp: "Last modified 2018-05-06
21:26:2
1 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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