Rphree: Interface to the geochemical modelling program PHREEQC

Interface and utility functions for the geochemical simulator PHREEQC. PHREEQC (version 2.17) itself is shipped in this package and compiled as shared library to achieve online calculations. Some functions for visualization and database manipulations are included.

Author
Marco De Lucia
Date of publication
2015-01-24 21:20:55
Maintainer
Marco De Lucia <delucia@gfz-potsdam.de>
License
MIT + file LICENSE
Version
0.1-6

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Man pages

AddProp
Add a new property (species, pure phase, ...) to an input...
Distribute
Distribute properties in an input buffer.
DistributeKin
DistributeKin
DS_CO2sol
Duan and Sun model for solubility of CO2 in NaCl solutions
DS_PhiCO2
Fugacity coefficient of CO2
DS_SI_CO2
Saturation Index for solubility of CO2(g) using Duan equation...
DS_ZCO2
Compressibility Z of CO2 by the Duan and Sun (2003) model
DS_ZCO2_var
Compressibility Z of CO2 by the Duan and Sun (2003) model
PlotMinDelta
Barplot of mineral deltas of an Rphree solution
RepSol
Replicate a SOLUTION
RGetPhases
Workhorse function for extraction of
RInputFromList
Transform a (formatted) solution in a new input buffer.
RKS_SI_CO2
Calculate the Saturation Index of CO2(g) by...
Rphree
Run online PHREEQC with the shipped 2.17 version
RPhreeCheckSel
Generate and/or check the selection of output from Rphree
RPhreeExt
Workhorse function for extraction of informations from a...
RPhreeFile
Read a normal PHREEQC input file and prepare it for Rphree
RPhreeFormatOut
Format the output returned by PHREEQC
Rphree-package
Rphree: R interface to the PHREEQC geochemical modeling...
RPhreeWriteInp
RPhreeWriteInp
RPinfo
Extract specific values from an Rphree output
RReadOut
RReadOut
RReadOutKin
RReadOutKin, import the output file of a kinetic simulation...
RReadPhases
extract the phases from a Rphree solution
SuppressSim
Suppress a simulation from an input buffer
VizAct
Plots activities or activity coefficients of a set of...
VizMinDelta
Plots mineral deltas of a set of solutions
VizSol
Visualize barplot of total solute concentrations of...

Files in this package

Rphree/DESCRIPTION
Rphree/LICENSE
Rphree/NAMESPACE
Rphree/R
Rphree/R/Rphree_Main.R
Rphree/R/Rphree_Pkg.R
Rphree/R/Rphree_Solub.R
Rphree/R/Rphree_Utils.R
Rphree/R/Rphree_Viz.R
Rphree/inst
Rphree/inst/CITATION
Rphree/inst/extdata
Rphree/inst/extdata/ex1.phrq
Rphree/inst/extdata/iso.dat
Rphree/inst/extdata/llnl_rphree.dat
Rphree/inst/extdata/phreeqc.dat
Rphree/inst/extdata/pitzer_rphree.dat
Rphree/inst/extdata/wateq4f.dat
Rphree/man
Rphree/man/AddProp.Rd
Rphree/man/DS_CO2sol.Rd
Rphree/man/DS_PhiCO2.Rd
Rphree/man/DS_SI_CO2.Rd
Rphree/man/DS_ZCO2.Rd
Rphree/man/DS_ZCO2_var.Rd
Rphree/man/Distribute.Rd
Rphree/man/DistributeKin.Rd
Rphree/man/PlotMinDelta.Rd
Rphree/man/RGetPhases.Rd
Rphree/man/RInputFromList.Rd
Rphree/man/RKS_SI_CO2.Rd
Rphree/man/RPhreeCheckSel.Rd
Rphree/man/RPhreeExt.Rd
Rphree/man/RPhreeFile.Rd
Rphree/man/RPhreeFormatOut.Rd
Rphree/man/RPhreeWriteInp.Rd
Rphree/man/RPinfo.Rd
Rphree/man/RReadOut.Rd
Rphree/man/RReadOutKin.Rd
Rphree/man/RReadPhases.Rd
Rphree/man/RepSol.Rd
Rphree/man/Rphree-package.Rd
Rphree/man/Rphree.Rd
Rphree/man/SuppressSim.Rd
Rphree/man/VizAct.Rd
Rphree/man/VizMinDelta.Rd
Rphree/man/VizSol.Rd
Rphree/src
Rphree/src/Makevars.win
Rphree/src/RPhree.c
Rphree/src/RPhree.h
Rphree/src/advection.c
Rphree/src/basic.c
Rphree/src/basic.h
Rphree/src/basicsubs.c
Rphree/src/cl1.c
Rphree/src/cvdense.c
Rphree/src/cvdense.h
Rphree/src/cvode.c
Rphree/src/cvode.h
Rphree/src/dense.c
Rphree/src/dense.h
Rphree/src/dw.c
Rphree/src/global.h
Rphree/src/global_structures.h
Rphree/src/input.c
Rphree/src/input.h
Rphree/src/integrate.c
Rphree/src/inverse.c
Rphree/src/isotopes.c
Rphree/src/kinetics.c
Rphree/src/kinetics.h
Rphree/src/main.c
Rphree/src/mainsubs.c
Rphree/src/model.c
Rphree/src/nvector.c
Rphree/src/nvector.h
Rphree/src/nvector_serial.c
Rphree/src/nvector_serial.h
Rphree/src/output.c
Rphree/src/output.h
Rphree/src/p2c.h
Rphree/src/p2clib.c
Rphree/src/parse.c
Rphree/src/phqalloc.c
Rphree/src/phqalloc.h
Rphree/src/phreeqc_files.c
Rphree/src/phrqproto.h
Rphree/src/phrqtype.h
Rphree/src/pitzer.c
Rphree/src/pitzer.h
Rphree/src/pitzer_structures.c
Rphree/src/pitzer_structures.h
Rphree/src/prep.c
Rphree/src/print.c
Rphree/src/read.c
Rphree/src/readtr.c
Rphree/src/sit.c
Rphree/src/smalldense.c
Rphree/src/smalldense.h
Rphree/src/spread.c
Rphree/src/step.c
Rphree/src/step.h
Rphree/src/structures.c
Rphree/src/sundialsmath.c
Rphree/src/sundialsmath.h
Rphree/src/sundialstypes.h
Rphree/src/tally.c
Rphree/src/tidy.c
Rphree/src/transport.c
Rphree/src/utilities.c