(revised 07/04/2013)
This is a list of links to computer software available on other
servers. URLs are given where you can download software at no cost.
Commercial software is not included. The link for each software title
leads to the home page (if available); follow the compute (Mac) (PC)
links for direct downloads.
mineralogic, crystallographic, spectroscopic
 AMPH 2012  gives the correct name to amphibole compositions after the IMA report (Hawthorne et al., 2012, American Mineralogist, 97, 20312048). This 2.0 version also covers orthorhombic amphiboles and acknowledges the recent recognition of the new rootnames ghoseite (for rootname 11) and suenoite (for the orthorhombic counterpart of rootname 3). Mistakes in the use of the magnesio prefix have been corrected. Multiple entries from a file are now allowed. by Roberta Oberti.
 CRUSH  calculates the Rigid Unit Mode spectrum for a given framework crystal structure. by Martin Dove.
 DRAWxtl  displays crystal structures on ordinary computer hardware and operating systems. Four forms of graphics are produced: (1) an openGL window for immediate viewing, (2) the Persistence of Vision Ray Tracer (POVRAY) scene language for publicationquality drawings, (3) the Virtual Reality Modeling Language (VRML) for dissemination across the Internet, and (4) a Postscript rendering of the OpenGL window for those that want highquality output but do not have POVRAY installed. DRAWxtl runs on Windows 2000, XP, Vista, Windows 7, and 8 (tested on the preview release), Mac (OS X), Linux, other Unixtype systems. and openVMS. No special graphics hardware is required.. by Larry W. Finger, Martin Kroeker, and Brian Toby.
 EoSFit  to fit and manipulate equations of state,
and other software for collecting and processing highpressure singlecrystal diffraction data. by Ross Angel.
 GALOPER is a computer program (written in Microsoft Excel macro language) which simulates the shapes
of crystal size distributions (CSDs) from the crystal growth mechanisms discussed in Eberl, D. D., Drits,
V.A., and Srodon, J., 1998, Deducing crystal growth mechanisms for minerals from the shapes of crystal size
distributions. American Journal of Science, v. 298, p. 499533. Measured CSDs are simulated with Galoper to discover crystal growth history. It available for downloading from the USGS
ftp site: GALOPER. by Dennis D. Eberl.
 GSASII (General Structure Analysis System) is is a complete crystallographic package in development that will run on Windows, Linux & MacOSX machines (developed on Windows so best there). It makes extensive use of computer graphics, both as a user interface and to display results.
As of July 22, 2012, GSASII will read & process both xray and neutron (CW only) powder data in most any of the old GSAS file formats and single crystal data in IUCr CIF format. It can also read and process (e.g. calibrate & integrate) 2D image powder data. Powder data processing includes peak fitting & indexing as well as Rietveld & Pawley refinement. Single crystal data can be used in combined or separate refinements as well. The system includes Fourier map preparation & display, peak picking and crystal structure display in a variety of forms (balls, balls & sticks, ellipsoids, polyhedra), as well as distance/angle/torsion/plane geometry results calculations with esds for the resultant data values. Constraint relations and equations may be applied upon parameters as needed. There is also a scheme for charge flipping structure solution for either single crystal or powder diffraction data (some further development is needed to complete this). More work is also planned to add facilities for restraints and rigid body refinement. Plans for handling neutron TOF data and analysis of magnetic/incommensurate/protein structures are in consideration.
GSASII has been created by Robert B. Von Dreele and Brian H. Toby of Argonne National Laboratory. It is distributed via a subversion server at Argonne National Lab. and consists of python source code, some fortran source code (compiled for most platforms) and library modules, a suite of tutorials, and example data files. It requires python 2.7+ (but not python 3.+) and certain python packages (wxPython, numpy, scipy, matplotlib & pyOpenGL). Please see the wiki pages for full installation & operating instructions. To find the information use http://tinyurl.com/GSASII, or just Google "GSASII"; it probably will be the first thing listed. If you give GSASII a try, please let authors know your experiences and especially if you find bugs & errors. Suggestions are welcome. There is a also brand new GSASII mailing list, see http://www.aps.anl.gov/mailman/listinfo/GSASII; we request users sign up.
 Isoplot from the Berkeley Geochronology Center is a flexible tool for the mathematical and graphical interpretation of radiogenicisotope data, especially as applied to geochronology. Isoplot can:
C
 alculate and plot classical isochrons (Rb/Sr, Sm/Nd, U/Pb, Re/Os, Lu/Hf…);
 Construct UPb concordia plots and calculate ages using conventional concordia intercepts, the “Concordia Age” algorithm, 3D planar concordia intercepts, or 3D linear (“Total U/Pb”) isochrons;
 Calculate uraniumseries isochron ages using 3D or 2D isochrons and construct 230Th/238U234U/238U evolution curves and isochrons;
 Plot ArAr stepheating diagrams and find the statisticallybest plateau steps and age;
 Combine ArAr isochron with ArAr stepheating diagrams to obtain the logically optimum combination of both;
 Use simple Bayesian constraints Improve the estimates and errorassignments for a package of stratigraphicallyconstrained radiometricallydated units whose ages overlap within errors (with a special variant for 230Th/U ages);
 Construct singlestage growthcurves for plots of commonPb data;
 Construct cumulativeprobability / histogram plots and linearizedprobability diagrams;
 Calculate both conventional (analyticalerror weighted) and robust (nonparametric) xy regressions for “classical” and PbPb isochrons;
 Deconvolute mixtures of components having Gaussian errordistributions using the SambridgeCompston approach;
 Calculate and construct plots for either errorweighted or robust (nonparametric) averages of a single variable;
 Plot curves for almost any function;
 Provide Monte Carlo errors as well as asymptotic (firstorder) errors for most linear regressions, isochrons, and concordiaintercept solutions;
 Extract reliable ages and errors from complex suites of Phanerozoic singlezircon dates;
 Expand the number of Excel functions by more than 50, including many functions for radiogenicisotopes (including 16 for U/Pb and 8 for 230Th234U238U alone).
Isoplot is available without charge at http://www.bgc.org/isoplot_etc/isoplot.html.
 KALI Jeff Weeks' Topology and Geometry Software. Play with the 17 plane groups, the 10 point groups (plus 5fold symmetry) and even symmetry along a line geometrygames.org. Click on Kali, and download the appropriate version. Easy to use, just start it and click
away.
 MUDMASTER is a computer program (written in Microsoft Excel macro language) which determines
mean crystallite size, crystallite size distribution and strain by Fourier analysis of Xray diffraction
peak shape. It is based on the BertautWarrenAverbach technique, as has been described in Drits, V., Eberl,
D. D., and Srodon, J., 1998, XRD measurement of mean thickness, thickness distribution and strain for illite
and illite/smectite crystallites by the BertautWarrenAverbach technique. Clays & Clay Minerals,
v. 46, p. 3850. The program is easy to use, and determinations are very accurate for nanosize crystals.
It available for downloading from the USGS ftp site:
MUDMASTER. by Dennis D. Eberl.
 NMRFIT
 deduce the shortrange Al/Si order in a framework aluminosilicate mineral
from Si MASNMR data by means of a MonteCarlo simulated anneal. by Martin
Dove.
 WinPyrox  A Windows program for pyroxene calculation classification and thermobarometry (American Mineralogist, Volume 98, pages 1338–1359, 2013) by Fuat Yavuz.
 UnitCell
: Program to refine unit cell parameters from powder diffraction data. by
Tim Holland.
Mac
PC
 OccQP
: Optimization of siteoccupancies in minerals using quadratic programming, as described in the article by S.E. Wright, J.A. Foley, and J.M. Hughes (Am. Min., 2000). Written and maintained by Stephen E. Wright.
petrologic
 ERUPT
 graphical program that simulates various volcanic eruption types, including
Strombolian, Plinian, Vulcanian/Surtseyan pyroclastic flows and surges, Hawaiian
fluid lava flows, fumarolic activity, and Peléean viscous lava dome
emplacement. Tectonic (faulting), caldera and sector collapse, and erosional
events are also simulated. by Kenneth H. Wohletz.
 Galoper  a program that simulates the shapes of crystal size distributions (CSDs) that result from a variety of crystal growth mechanisms, or from a combination of these mechanisms. Associated programs include statistical programs used for comparing calculated with measured CSDs, programs for calculating lognormal and gamma distributions, and a program for arranging crystal size measurement data into size groupings (bins). Available for downloading free of charge from a USGS ftp site: Galoper.
 GCDkit  The GeoChemical Data ToolKIT is a system for handling and recalculation of wholerock analyses from igneous rocks. It is written in R, a language and environment for statistical computing and graphics. Main features of GCDkit are:
 Standard geochemical calculations involving major, traceelement as well as SrNd data
 Effective data management (searching, grouping)
 Common plots (binary, ternary, spider diagrams)
 Graphic output to publication quality
 Modular architecture (= easily expandable and modifiable)
 Transparent functionality & availability (open source freeware, WWW)
GCDkit version 2.3 was released on May 11, 2008. Currently, GCDkit works under the Windows GUI, and Windows XP/Vista/7 are recommended systems. Under previous versions of Windows R may become unstable, failing to redraw graphical windows if too many of them are open. Furthermore, our users reported GCDkit functionality under Linux with emulated Windows. by Janoušek, V., Farrow, C. M. & Erban, V. 2006. Interpretation of wholerock geochemical data in igneous geochemistry: introducing Geochemical Data Toolkit (GCDkit). Journal of Petrology 47(6):12551259

GIBBS
 generalized Jacobean transformation algorithm designed to perform thermodynamic
calculations of heterogeneous phase equilibria useful to metamorphic petrology.
The program is designed to produce graphical output of results (phase diagrams,
PT diagrams, etc.) and there are several modules sesigned to facilitate different
types of phase equilibrium calculations, plus the notes from a short course
given at the NEGSA meeting in Burlington, Vermont in March, 2001. by
Frank Spear.
MAC
 GPT
 Excel Spreadsheet for thermobarometric calculations in metapelitic rocks.
by Reche & Martinez.

GTB
 Macintosh GeoThermoBarometry program. by Matt Kohn and Frank Spear.
 HandLens  program to calculate the major, minor and trace element chemistries and the isotopic compositions of individual minerals in mineral mixtures (e.g., in rocks, soils and sediments). The program inputs are the quantitative mineralogies (e.g., from RockJock analysis) and chemistries (e.g., from XRF or ICPMS analyses) of bulk samples from related sample sets. The approach, which solves a series of simultaneous linear equations using Excel’s Solver tool, renders unnecessary the purification of mineral separates to determine individual mineral compositions. Available for downloading free of charge from a USGS ftp site: HandLens.
 HEAT
 2D, heterogeneous, heat flow simulator, useful for modeling magma chamber
evolution. by Kenneth H. Wohletz.
 Hbplag
 Program to calculate temperatures for hornblendeplagioclase assemblages.
by Tim Holland.
Mac
PC
 MAGMA
 Program to calculate the IUGG volcanic rock classification, CIPW norms,
viscosity, and density of magmatic silicate liquids from chemical composition
and temperature. by Kenneth H. Wohletz.
 MELTS
 a software package designed to facilitate thermodynamic modeling of phase equilibria in magmatic systems. It provides the ability to compute equilibrium phase relations for igneous systems over the temperature range 5002000 °C and the pressure range 02 GPa. by Mark Ghiorso.
 MudMaster  a program to calculate mean crystallite size, crystallite size distribution (CSD) and strain of nanosize minerals from Fourier analysis of XRD peak shape. MudMaster applies a modified version of the BertautWarrenAverbach technique. The program was written to measure the thicknesses of clay crystals, but also has been applied, for example, to measure the CSDs of magnetic particles on computer disks, and the CSDs of metallic catalysts. The program works best for CSDs that have mean sizes <25 nm. Available for downloading free of charge from a USGS ftp site: MudMaster.
  garcorspsil/kyqtz thermobarometry (online calculations). by Geoff Nichols
 OLIVERIAN  olivine thermobarometry. by Frank Spear.
  petrologic phase equilibria. by James Connolly
  a computational thermodynamics software package for visualizing equilibrium phase relations in application to the Earth and other silicate planetary bodies. The program determines abundances and compositions of solid and liquid phases based upon several thermodynamic data/model collections, including the work Ghiorso and colleagues (MELTS and pMELTS) on magmatic systems and the work of Stixrude and LithgowBertelloni on phase relations in silicate systems at high pressure. The objective of PhasePlot is rapid visualization of equilibrium phase relations with the aim of promoting a deeper understanding of complex multicomponent systems and the utility of computational thermodynamics in broadening our appreciation of the natural world. The goal of PhasePlot is to create a computational environment that stimulates thinking about phase equilibria and its applications to natural systems, without the burden and distraction associated with the mechanics of performing these calculations. PhasePlot is a sophisticated calculator for the researcher and student of hightemperature phase equilibria. by Mark Ghiorso.
 QUILF  PASCAL program to assess equilibria among Fe MgTi oxides, pyroxenes, olivine, and quartz. by Andersen, Lindsley and Davidson
Mac
UNIX
DOS
 RockJock  a free program for calculating the quantitative mineralogy from XRD patterns of randomly oriented powder samples. Analyses can be made with or without a corundum internal standard. The ideal, relative, 2sigma error is ±4%. RockJock placed second in the most recent (2011) international Reynolds Cup quantitative mineral analysis competition. Available for downloading from the following USGS ftp site: RockJock. The program is almost entirely automatic, requiring only that the Xray intensities for a sample be entered into the program, that minerals likely to be present be chosen from a list, and that a button be clicked. The instruction manual (RockMan) is available from the same site. by Dennis D. Eberl.
 SedUnMix  a free program for calculating the quantitative provenance of a mixedsource sediment from its quantitative mineralogy, and from knowledge of the quantitative mineralogy of sourcearea sediments. SedUnMix is described in Marine Geology 291294 (2012) 2433. Available for downloading free of charge from a USGS ftp site: SedUnMix.
 SFT
 graphical application designed to invert particle size data to find size
distribution parameters of lognormal, sequential fragmentation, or sequential
fragmentation/transport models, the latter two providing information about
the fragmentation/transport origins of the sample (Wohletz et al., 1989,
Jour Geophys Res 94: 1570315721). by Kenneth H. Wohletz.
 StackMan  athat program calculates XRD patterns for mixedlayer illite/smectites from knowledge of the crystal thickness distributions of fundamental illite particles (e.g., using data from MudMaster analyses of illite crystal thicknesses determined from PVPintercalated samples). The program is described in Am. Mineral. 96 (2011) 586595. Available for downloading free of charge from a USGS ftp site: StackMan.

 phase equilibria by free energy minimization. by Christian de Capitani.
FORTRAN source codes
.

Tetplot
 plotting tetrahedral phase diagrams. by Frank Spear.
 THERMOCALC
 database for metamorphic phase equilibria. by Roger Powell and Tim Holland.
 TWQ
 thermodynamic database for metamorphic phase equilibria. by Rob Berman.

UBC
 retreivable mineral thermodynamic data. by Tom Brown.

WEBINVEQ
 online thermobarometric calculations. by Terry Gordon.
