Rcrust

Rcrust is a free software tool that performs phase stability calculations with path dependence. In these calculations pressure (P) temperature (T) and bulk composition (X) can vary simultaneously.

Rcrust is free to Download and use under the GNU copyleft.

Getting Started

Rcrust can easily be run through the Graphical User Interface (GUI) to perform simple calculations with no prior programming knowledge. More advanced functionalities can be accessed through bypassing the GUI and dealing directly with the code.

The Rcrust user manual explains installation and contains 3 simple examples to familiarise yourself with running the program. The manual is contained within the Rcrust installation files or can be downloaded below.

Download

The RCrust program and accompanying documentation can be downloaded from Stellenbosch University website : http://www.sun.ac.za/english/faculty/science/earthsciences/rcrust

What is Rcrust?
Rcrust is a thermodynamic modelling tool that uses a compiled form of "meemum" from the Perple_X suite of programs to calculate the phase stabilities of points in P-T-X space. The strength of "Rcrust" is that it allows dependence relations to be defined between points so that the composition of the reactive system can change for example by phase additions or extractions. This automated handling of compositional change allows multiple new applications for phase equilibria modelling

How can I get involved?
Rcrust is developed by geologists for geologists. The graphical user interface was designed to allow people with no programming background to be able to use it. More powerful (user controlled) and recent (often unstable) features are accessible to advanced users who bypass the GUI. However at all levels the objective is to have the simplest understandable functions possible.
Advanced users are encouraged to learn basic R commands after which they will find they can easily write and add their own functions to Rcrust. We welcome any requests, alterations or collaborations.

Who are we?

*Corresponding Author
Matthew Mayne
Stellenbosch University (South Africa)
mmayne @ sun.ac.za (mmayne @ sun.ac.za)

Professor Jean-François Moyen
Université de Saint-Etienne (France)
jean.francois.moyen @ univ-st-etienne.fr

Professor Gary Stevens
Stellenbosch University (South Africa)
gs @ sun.ac.za (gs @ sun.ac.za)

Lars Kaislaniemi
University of Helsinki (Finland)
lars.kaislaniemi @ iki.fi (lars.kaislaniemi @ iki.fi)

Citing

Below are appropriate references for calculations performed with Rcrust

Rcrust program
Mayne, M. J., Moyen, J.-F., Stevens, G. and Kaislaniemi, L. (2016), Rcrust: a tool for calculating path-dependent open system processes and application to melt loss. J. Metamorph. Geol., 34: 663–682. doi:10.1111/jmg.12199

Underlying Perple_X calculation
Rcrust's calculation routines make use of a compiled form of meemum from the Perple_X suite of programs. The appropriate reference for meemum's calculation is below:

Connolly JAD (2009) The geodynamic equation of state: what and how. Geochemistry, Geophysics, Geosystems 10:Q10014 DOI:10.1029/2009GC002540.

R language
Included in the Rcrust installation files is the latest appropriate version of R, this is free software distributed under GNU licensing by Copyright (C) 2011 The R Foundation for Statistical Computing

Further information can be found on the R website

Thermodynamic data files and solution models
An extensive list of references for thermodynamic data sets and solution models can be found with the links below

Thermodynamic data files references
Solution model references

License Information

Statement
Rcrust is licensed under the GNU General Public License (GNU GPL). The software is free for use, redistribution and modification. All we ask is that you cite the appropriate sources (see Citing).

Licence
Copyright (C) 2016 Matthew J. Mayne
Rcrust is free software: you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 of the License, or (at your option) any later version.
Rcrust is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details.

A copy of the GNU General Public License should be included in the installation files of Rcrust (see the file COPYING). If not, see www.gnu.org/licenses or follow the links below :

Free Software Foundation

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