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Move uranium.R to uranyl.R
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git-svn-id: svn://scm.r-forge.r-project.org/svnroot/chnosz/pkg/CHNOSZ@848 edb9625f-4e0d-4859-8d74-9fd3b1da38cb
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jedick committed Nov 17, 2024
1 parent 757ae6f commit d5ed796
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2 changes: 1 addition & 1 deletion DESCRIPTION
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Date: 2024-11-17
Package: CHNOSZ
Version: 2.1.0-20
Version: 2.1.0-21
Title: Thermodynamic Calculations and Diagrams for Geochemistry
Authors@R: c(
person("Jeffrey", "Dick", , "[email protected]", role = c("aut", "cre"),
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2 changes: 1 addition & 1 deletion R/examples.R
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Expand Up @@ -34,7 +34,7 @@ demos <- function(which = c("sources", "protein.equil", "affinity", "NaCl", "den
"ORP", "ionize", "buffer", "protbuff", "glycinate",
"mosaic", "copper", "arsenic", "solubility", "gold", "contour", "sphalerite", "minsol",
"Shh", "saturation", "adenine", "DEW", "lambda", "potassium", "TCA", "aluminum",
"AD", "comproportionation", "Pourbaix", "E_coli", "yttrium", "rank.affinity", "uranium"),
"AD", "comproportionation", "Pourbaix", "E_coli", "yttrium", "rank.affinity", "uranyl"),
save.png = FALSE) {
# Run one or more demos from CHNOSZ with ask = FALSE, and return the value of the last one
out <- NULL
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2 changes: 1 addition & 1 deletion demo/00Index
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Expand Up @@ -33,4 +33,4 @@ Pourbaix Eh-pH diagram for Fe-O-H with equisolubility lines
E_coli Gibbs energy of biomass synthesis in E. coli
rank.affinity Affinity ranking for proteins in yeast nutrient limitation
yttrium logB.to.OBIGT fits at 800 and 1000 bar and Y speciation in NaCl solution at varying pH
uranium Total (carbonate|sulfate)-pH diagrams for uranium
uranyl Total (carbonate|sulfate)-pH diagrams for uranyl species
4 changes: 2 additions & 2 deletions demo/uranium.R → demo/uranyl.R
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# CHNOSZ/demo/uranium.R
# Total (carbonate|sulfate)-pH diagrams for U, after Migdisov et al., 2024
# CHNOSZ/demo/uranyl.R
# Total (carbonate|sulfate)-pH diagrams for uranyl species, after Migdisov et al., 2024
# 20241116 jmd
library(CHNOSZ)

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6 changes: 3 additions & 3 deletions inst/NEWS.Rd
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Expand Up @@ -15,7 +15,7 @@
\newcommand{\Cp}{\ifelse{latex}{\eqn{C_P}}{\ifelse{html}{\out{<I>C<sub>P</sub></I>}}{Cp}}}
\newcommand{\DG0}{\ifelse{latex}{\eqn{{\Delta}G^{\circ}}}{\ifelse{html}{\out{&Delta;<I>G</I>&deg;}}{ΔG°}}}

\section{Changes in CHNOSZ version 2.1.0-20 (2024-11-17)}{
\section{Changes in CHNOSZ version 2.1.0-21 (2024-11-17)}{

\itemize{

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\item OBIGT: Fix sign of \emph{c} parameter for nesquehonite. Thanks to James Leong and Grayson Boyer.

\item Add \file{demo/uranium.R}, total (carbonate|sulfate)-pH diagrams
for uranium, after
\item Add \file{demo/uranyl.R}, total (carbonate|sulfate)-pH diagrams
for uranyl species, after
\href{https://doi.org/10.1016/j.gca.2024.04.023}{Migdisov et al. (2024)}.

}
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2 changes: 1 addition & 1 deletion man/examples.Rd
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Expand Up @@ -65,7 +65,7 @@ The demo(s) to run is/are specified by \code{which}; the default is to run them
\item{E_coli}{Gibbs energy of biomass synthesis in \emph{E. coli} (LaRowe and Amend, 2016)}
\item{rank.affinity}{Affinity ranking for proteins in yeast nutrient limitation (data from Tai et al., 2005)}
\item{yttrium}{\code{\link{logB.to.OBIGT}} fits at 800 and 1000 bar and Y speciation in \code{\link{NaCl}} solution at varying pH (Guan et al., 2020)}
\item{uranium}{Total (carbonate|sulfate)-pH diagrams for uranium (Migdisov et al., 2024)}
\item{uranyl}{Total (carbonate|sulfate)-pH diagrams for uranyl species (Migdisov et al., 2024)}
}
For either function, if \code{save.png} is TRUE, the plots are saved in \code{\link{png}} files whose names begin with the names of the help topics or demos.
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