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.

AuthorMarco De Lucia
Date of publication2015-01-24 21:20:55
MaintainerMarco De Lucia <delucia@gfz-potsdam.de>
LicenseMIT + file LICENSE
Version0.1-6

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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

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