Rainer Petschick's awesome software compilation, including excel spreadsheet macros.

The Mineralogical Society of America has a good collection of links to crystallographic, spectroscopic and petrologic software: http://www.minsocam.org/MSA/Software/

The Dept. of Geosciences in Erlangan has programs for X-ray mineralogy and sediment settling

The Collaborative Computational Project Number 14 for Single Crystal and Powder Diffraction has links to a wide variety of software and source code at http://sdpd.univ-lemans.fr/du-sdpd/nexus/ccp14/web/index3.htm.

The USGS XRD suite (ftp://brrcrftp.cr.usgs.gov/pub/ddeberl/)
including

• RockJock (quantitative mineralogy from XRD patterns of randomly oriented powder samples)
• SedUnMix (quantitative provenance of a mixed-source sediment from its quantitative mineralogy)
• HandLens (calculates the major, minor and trace element chemistries and the isotopic compositions of individual minerals in mineral mixtures)
• MudMaster (mean crystallite size, crystallite size distribution (CSD) and strain of nano-size minerals from Fourier analysis of XRD peak shape)
• Galoper (simulates the shapes of crystal size distributions (CSDs) that result from a variety of crystal growth mechanisms)
• StackMan (XRD patterns for mixed-layer illite/smectites from knowledge of the crystal thickness distributions of fundamental illite particles).

Structural Geology Programs for the Mac and Windows by Rick Allmendinger of Cornell University

Stereonet: General purpose stereographic projection program for plotting lines, planes, density contouring, rotations, etc. FaultKin: For kinematic analysis (P&T axes, P-T dihedra, fault plane solutions, etc.) of fault populations; includes basic database functions. Fault/Fold: General purpose cross section forward modeling program for fault-bend folds, trishear fault-propagation folds, and listric or planar normal faults. A section can have up to 30 faults, either listric or planar, and folding over ramps can occur either by parallel or similar folding. StrainSim: Simulates pure and simple shear deformation of boxes, triangles, circles, and lines. Microstructure: Calcite, dolomite, and quartz microstructure analysis; includes Groshong strain gauge. MacStress: Plots frictional-crystal plastic transition curves. MacStrat: Simple stratigraphic column construction from tape or jacob staff.

Several programs for structural geology from Nestor Cardozo.

OSXGeoCalc is a Structural Geology Calculator. It operates on lines and planes, strains, and stresses. Individual computations can be made using the calculator's interface. Multiple computations can be performed using text files. Lines and planes can be visualized in a Stereonet.

OSXGeoCalc was made for geologists, but it can be used by anyone who is interested in planes and lines, strains, and stresses (physicists, engineers, geotechnicians, etc.).

OSXBackstrip performs 1D Backstripping of sedimentary Strata. Backstripping is not a difficult task but it is tedious. OSXBackstrip makes backstripping enjoyable.

Trishear3D is a program to run 3D trishear models. SSPX is a program to calculate strain/strain rate from displacement/velocity data in two and three dimensions. OSXFlex2D is a program that implements the "elastic", "flexural" model of the displacement profile of the surface of the earth under crustal loads (i.e. mountain chains).

Cédric John created DeltaPlot, freeware for ternary plots (Mac). It has several templates, including ones for mineralogy, petrology, sedimentology and paleontology, along with blank templates.

SG2PS (Structural Geology to Post Script Converter) - A graphical solution for brittle structural data evaluation and paleostress calculation by Ágoston Sasvári. For PC.

Francisco Javier Lopez-Moro has created a) EASYGRESGRANT, a Microsoft Excel spreadsheet to quantify volume changes and to perform mass-transfer modeling in metasomatic systems, and b) OPTIMASBA, a Microsoft Excel workbook to optimise the mass-balance modelling applied to magmatic differentiation processes and subsolidus overprints. EASYGRESGRANT was performed for Mac and PC but OPTIMASBA is only available for PC.

GAEA Technologies has several programs available for borehole and well data, contaminant migration and grain size analysis. The free demos are fully functional except that they will print "DEMO" in large letters on the outputs and they are restricted to a maximum of 20 new logs or cross-sections.

WinLoG will create boring and well logs; WinFence will create detailed full-color cross-sections; WinSieve allows you to enter and print grain size analysis charts; POLLUTEv6 provides contaminant migration analysis capabilities; MIGRATEv9 models contaminant transport from multiple sources.

http://rsb.info.nih.gov/nih-image/

NIH Image is a public domain image processing and analysis program for the Macintosh. It was developed at the Research Services Branch (RSB) of the National Institute of Mental Health (NIMH), part of the National Institutes of Health (NIH).

A free PC version of Image, called Scion Image for Windows, is available from Scion Corporation. There is also Image/J, a Java program inspired by Image that "runs anywhere".

Image can acquire, display, edit, enhance, analyze and animate images. It reads and writes TIFF, PICT, PICS and MacPaint files, providing compatibility with many other applications, including programs for scanning, processing, editing, publishing and analyzing images. It supports many standard image processing functions, including contrast enhancement, density profiling, smoothing, sharpening, edge detection, median filtering, and spatial convolution with user defined kernels.

Image can be used to measure area, mean, centroid, perimeter, etc. of user defined regions of interest. It also performs automated particle analysis and provides tools for measuring path lengths and angles. Spatial calibration is supported to provide real world area and length measurements. Density calibration can be done against radiation or optical density standards using user specified units. Results can be printed, exported to text files, or copied to the Clipboard.

More information about NIH Image can be found in the Overview section of the manual.

NOW FREE! with registration

Theriak, the heart of the collection, calculates the stable mineral assemblage and phase compositions for a given rock (bulk composition) at specified P,T conditions.

Domino may calculate (a) equilibrium assemblage diagrams with selectable axes (P, T, components activity and logarithms of components activity), (b) Pseudo-binary or pseudo-ternary phase diagrams, (c) Phase compositional isopleths as well as density, volume or modal amount distributions; (d) Distribution of rock bulk parameters.

Therbin and Therter calculate binary and ternary phase diagrams at constant P and/or T.

Thalia and Thermo calculate the phase or assemblage dependence of thermodynamic parameters on T or P or (binary) composition.

Guzzler and Explot are used to transform graphics information from the above programs to 'ready to use' postscript files that can be viewed on screen or printed to a hard-copy.

http://www.lwfinger.com/drawxtl/index.html

http://cires.colorado.edu/people/jones.craig/CHJ_PMag_overview.html
Craig H. Jones, cjones@mantle.colorado.edu

A page by Mark Hounslow with software for Palaeomagnetic Directional Analysis and Statistics, Tectonic Plate Reconstruction, Rock and Environmental Magnetic Stereo and 2-D data Plotting, Solid Earth Geophysics Teaching, and more.

THERMOCALC Links

The THERMOCALC resource page hosted by Richard White at the University of Mainz, located at:
http://www.metamorph.geo.uni-mainz.de/thermocalc/

There is another page by Dave Waters at "THERMOCALC Links" and a page hosted by Tim Holland at Cambridge.

Several Windows programs by Dmitry Dolivo-Dobrovolsky for multi-equilibrium TWQ and THERMOCALC thermobarometry

All of these programs are freeware and can be found on at: http://www.dimadd.ru/en

GIS & Geology, SIGEOL

The tools and geologic databases run on TNTmips (GIS/image processing software from MicroImages, Inc.) :
Geologic Attributes databases : stratigraphy, fault geometry, types of contacts, petrography ...
GIS layer generator for geologic photo-interpretation
Dips and thickness calculation
Steronet, Wulff diagrams
Styles and symbols ...

Contact:

email : xavier@tti.fr
Website : www.tti.fr
A free evaluation version is available.

Sincris software database for all fields in crystallography.

P-T-t computer programs from Frank Spear

These are programs were originally distributed at AGU and GSA short courses on metamorphic P-T paths. Dr. Spear has published a book on metamorphic phase equilibria and several computer programs to perform calculations of interest to metamorphic petrologists. Frank Spear
spearf@rpi.edu

See:

Spear, F.S. and Peacock, S.M. (1989) Metamorphic Pressure-Temperature-Time Paths, 102 p. American Geophysical Union,Washington.

or:

Spear, F.S. (1993) Metamorphic Phase Equilibria and Pressure-Temperature-Time Paths, 799 p.
Mineralogical Society of America, Washington, D. C."

General Description of Program Thermobarometry

The purpose of program Thermobarometry is to perform and plot the results of thermobarometry calculations. The program was written by Matthew J. Kohn at Rensselaer Polytechnic Institute (now at U. Wisconsin) and has been modified for the Macintosh by F. Spear. An attempt has been made to incorporate all reasonable calibrations of thermobarometers for crustal rocks that have been published in the literature. New code is being added frequently.

This program manual contains description of computer programs and exercises on how to run the programs. The theoretical background is discussed at length in a set of short course notes published by the American Geophysical Union and distributed at 28th I nternational Geological Congress, which was held in Washington, D.C. in July, 1989 (Spear, F.S. and Peacock, S.M. (1989) Metamorphic Pressure-Temperature-Time Paths, 102 p. American Geophysical Union, Washington.) and is also discussed in Spear, F.S. (199 3) Metamorphic Phase Equilibria and Pressure-Temperature-Time Paths, 799 p. Mineralogical Society of America, Washington, D. C.) among other places.

Frank Spear; spear@harold.geo.rpi.edu

P-T-t programs by Ganguly

Several programs are available from Jibamitra Ganguly's ftp site for (a) Thermo-barometry, (b) Diffusion Kinetic modeling of retrograde compositional zoning in garnet and (c) high temperature thermochronology. These programs can be accessed using the following link:

http://geo.arizona.edu/~ganguly/pub/

The program files and explanations are as follows:

(a) P-T Calc: This file contains several programs for calculation of P-T conditions of rocks using garnet based thermo-barometers and the garnet solution model of Ganguly et al. (1996; CMP 126, 137-151). The programs in this file are:

• GT-AX.EXE: Calculates activity of garnet end member components using the Ganguly et al. (1996) solution model and input data of compositions

• GTPX-TEM.EXE: Calculates T using Grt-Opx and Grt-CPx thermometers, as discussed in Ganguly et al. (1996)

• GtBt-GASP: There are three programs in this folder: (i) GASP1.EXE (ii) GT-BT_T1.EXE and (iii) gb-gasp1.exe.

These programs calculate (i) P using GASP barometer at a specified T, (ii) T using Grt-Bt (Fe-Mg exchange) thermometer at a specified P and (iii) simultaneously solves for both P and T using GASP and Grt-Bt equilibria. For an idea of the reliability of P-T estimates using these formulations, see Dasgupta, Ganguly, Neogi (2004, JMG 22, 395-412)

(b) DIFF-CL.ZIP: It is a ZIP file containing programs that were used to calculate average closure temperature of minerals and age profiles in individual mineral grains from input data of diffusion kinetic parameters of daughter products of radiogenic decay systems and peak temperatures. The theory was developed by Ganguly and Tirone (1999: EPSL 170, 131-140). It represents a modification of the classic Dodson (1973) formulation.

(c) REAZ_Minuit* : There are several programs in this folder for modeling retrograde compositional in garnet with homogeneous core to retrieve cooling rates (see Ganguly et al. 2000: EPSL183, 471-486)

Seismic Duck
Your task is to find and extract oil from underground anticlines, curved "hills" of sandstone. You find these anticlines by sending sound waves into the ground and recording the echos on a seismogram. The anticlines have characteristic echos that hint where to drill for oil. The difficulty increases as you play. See how far you can get before going broke! Runs on Windows and Mac. http://www.blonzonics.us/games/seismic-duck

Hornblende-plagioclase geothermometry
hbplag is a public domain application for calculating hornblende-plagioclase geothermometry for the Macintosh, DOS and Windows. It is based on the thermometers of Holland and Blundy (1994, Contrib. Mineral. Petrol., v. 116).

Tim Holland
Dept. of Earth Sciences
Cambridge CB2 3EQ
UK

PHREEQC is a computer program written in the C programming language that is designed to perform a wide variety of aqueous geochemical calculations. PHREEQC is based on an ion-association aqueous model and has capabilities for (1) speciation and saturation-index calculations; (2) reaction-path and advective-transport calculations involving specified irreversible reactions, mixing of solutions, mineral and gas equilibria, surface-complexation reactions, and ion-exchange reactions; and (3) inverse modeling, which finds sets of mineral and gas mole transfers that account for composition differences between waters, within specified compositional uncertainties.

There is also a Windows version available, called PHREEQCi. Available from http://h2o.usgs.gov/software/phreeqc.html.

For a version of PHREEQC that you can run directly from your web browser, check out Web-Phreeq!

CSpace

CSpace (Composition Space) is a program aimed at facilitating the graphical and algebraic analysis of data representing compositional coordinates, such as chemical analyses of minerals, rocks or other substances or systems. CSpace focuses on techniques that are particularly suited to the needs of petrologists and mineralogists, but could also prove useful for geochemists and other environmental scientists. A few examples of what can be accomplished with CSpace are the mapping of compositions into some desired set of system/phase components, estimating reaction/mixing coefficients, assessing phase-rule compatibility relations within or between complex mineral assemblages and so on. The program also allows interactive visual inspection of composition relations by means of customizable barycentric plots that can be readily made into a variety of composition diagrams."

Copyright (C) 1992 Norimasa Yamazaki
Permission to use, copy, and distribute this software and its documentation for any purpose without fee is hereby granted under the restriction of ORTEP-II, provided that the above copyright notice and this permission notice appear in supporting documentation.
This software is provided "as is" without express or implied warranty.

Adapted to Macintosh by
Norimasa Yamazaki
University of Electro-Communications
Department of Physics and Chemistry
1-5-1 Choufugaoka
Choufu-shi
Tokyo 182
JAPAN
e-mail: yam@crystal.pc.uec.ac.jp

Original ORTEP-II was developed by
Johnson, C. K.
Report ORNL-5138
Oak Ridge National Laboratory
Oak Ridge, Tennessee, USA

This ORTEP runs on Macintosh series, which is equipped with 68020(30) CPU, FPU, a printer of 300 dpi resolution and System Software 6.07 or later.

UnitCell is a program which refines cell parameters from powder diffraction data. It refines cell parameters from powder diffraction data. Unlike most existing cell refinement programs it does not require initial estimates for cell constants; it uses a non-linear least squares method, which allows the refinement to be carried out on the actual observed data (e.g. two- theta in the case of angle-dispersive monochromatic diffraction, energy in the case of energy-dispersive diffraction). Furthermore, the program incorporates regression diagnostics, particularly deletion diagnostics, to aid in the detection of outliers and influential data which could be deleterious to the regressed results. These diagnostic tools are particularly valuable in assessing the sensitivity of the calculated results to the observations of individual Bragg peaks.

The method and implementation are described in the following paper:

T J B Holland and S A T Redfern (1997) "Unit cell refinement from powder diffraction data: the use of regression diagnostics". Mineralogical Magazine 61: 65-77.

JCrystalSoft creates commercial crystallographic software for educational and research purposes. Their products include: JCrystal - KrystalShaper - NanotubeModeler - WinWulff - FTL-SE - Kossel/Kikuchi - QuaRef.

MAUD Materials Analysis Using Diffraction, A Rietveld extended program to perform combined analysis. MAUD can be used to fit diffraction, fluorescence and reflectivity data using X-ray, neutron, TOF or electrons.

EQS4WIN Chemical equilibrium solver

• Commercial program which solves equilibrium problems from a wide range of fields using a unique unified theoretical approach
• Additionally solves unique special problem types
• Incorporates robust and efficient computational kernel
• Professional-quality Windows user interface (no Mac version available)
• Input data may be in terms of either reactions or individual species
• Built-in thermochemical database corrects errors in JANAF Tables
• Technical support provided by Dr. W. R. Smith, a leading researcher in the field
• Ideal for educational use; free Lite version solves many useful problems

FABRIC7 for analysis of structural and strain data

• Commercial program for Windows for the solution of various problems in structural geology, petrofabrics, neotectonics, sedimentology, rock mechanics, engeneering geology, physical geography, geophysics, and other fields of earth sciences (from the author).
• By Prof. Dr. Eckart Wallbrecher, Department of Earth Sciences, University of Graz, Austria.
• eckart.wallbrecher@uni-graz.at

GeoOrient is a Windows packages for plotting stereographic projections and rose diagrams, including wind roses (GEOrient); for structural and oriented drillcore calculations (GeoCalculator); for strain, and shear zone calculations; GIS (Mapinfo) software for calculating vector trends (azimuths) and lengths (GeoMapVector) and tools for plotting structural symbols on maps in MapInfo (GeoMapSymbol). The packages are developed by Rod Holcombe.

GeoChemicalData ToolKIT, or in short GCDkit, is a Windows program written by V. Janousek, C. M. Farrow, V. Erban & J. Smid for handling and recalculation of whole-rock analyses from igneous rocks. The main features of GCDkit are:

* Standard geochemical calculations involving major-, trace-element as well as Sr-Nd 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 sourcefreeware, WWW)

SOLVCALC

Solvcalc is a windows based interactive graphics program package for calculating the ternary feldspar solvus and for two-feldspar geothermometry.

Download the file sv2.exe and save in a new folder that you create. When you run it, it will automatically create a variety of files. Two are of interest. One is the Solvcalc.exe which is the program you want, the other is solvcalc.htm which you should open first and gives you instructions. This should be referenced to:

Wen, S.and Nekvasil, H. (1994) SOLVCALC: An interactive graphics program package for calculating the ternary feldspar solvus and for two-feldspar geothermometry. Computers & Geosciences 20, No. 6, 1025-1040.

Professor Hanna Nekvasil
Department of Geosciences
State University of New York
Stony Brook, NY 11794-2100
U.S.A.
email: hnekvasil@notes.cc.sunysb.edu

Amp-TB

Amp-TB Amp-TB.xls is "a user-friendly spreadsheet to estimate the physical-chemical conditions (i.e. confining P, T, H2Omelt and fO2) of amphibole-bearing magmas. It also estimates the uncertainties and has P-T, T-H2Omelt and logfO2-T diagrams showing the stability of amphibole in basalt to rhyolite magmas."

Filippo Ridolfi, Alberto Renzulli and Matteo Puerini, 2009, Stability and chemical equilibrium of amphibole in calc-alkaline magmas: an overview, new thermobarometric formulations and application to subduction-related volcanoes. Contributions to Mineralogy and Petrology, DOI 10.1007/s00410-009-0465-7

Filippo Ridolfi
email: filippo.ridolfi@uniurb.it
web: http://filipporidolfi.altervista.org

Roger Nielsen's magmatic differentiation programs BLF and MIXNFRAC

Roger Nielsen's phase equilibria programs for modeling magmatic differentiation are described in Geochimica Cosmochimica Acta and in Reviews of Mineralogy, vol. 24.
Here's information on running the programs: Readme - BLF and Mixnfrac
Below are links to the files.

The fortran source codes, and PC-executables are available in uuencoded format; a fortran compiler should allow you to run these programs on the platform of your choice.

On your browser, the files may be unformatted (lacking line breaks). To view the files as formatted documents, use the "view sources" feature on your browser, or download the files and look at them in a text editor using a monospaced font.

To decode the uuencoded binaries, you will need a uudecoder program, unless your web browser has one built in.

BLF.DAT
BLF.FOR
BLFEXE.uue
MIXNFRAC.DAT
MIXPLOT.uue
MIXNFRAC.FOR
mixnfracexe.uue
NEWDS3.DAT
RANDOM.DAT
MIXNFRAC.OUT

PETRO.CALC.PLOT is a package of macros that run in Microsoft Excel 3.0 and 4.0 for Macintosh and PC computers. The macros have also been written to run in Microsoft Excel 3.0 and 4.0 for Windows . (only the Mac versions are uploaded on this site right now; contact Gary Sidder if you need them). PETRO.CALC.PLOT minimizes repetition and time required to recalculate and plot whole-rock oxide data for petrologic analysis. Macros provided in PETRO.CALC.PLOT normalize w hole-rock oxide data to 100 percent, calculate the cation percentages and molecular proportions used for normative mineral calculations, compute the apices for common ternary diagrams, determine sums and ratios of specific elements of petrologic interest, and plot 33 X-Y graphs and five ternary diagrams. PETRO.CALC.PLOT may also be used to create other diagrams as desired by the user.

Prosim ternary diagram software for PC (free)

Ternary Plot for Mac (commercial software)

Trinity ternary diagram application for Mac (free)

Tri-plot is a spreadsheet for the preparation of triangular (ternary) diagrams for particle-shape and tri-variate data, by D.J. Graham at Loughborough University (free)

DeltaPlot for Mac, by Cédric John (free)

Aabel for Mac (commercial software).

Triplot - by Todd Thompson (for PC) (free).

ggtern - a package for R for the plotting of ternary diagrams, by Nicholas Hamilton. See www.ggtern.com (free)

Just use R, available at www.r-project.org (free)

A program for plotting data on 2-D plots:
Plot - Plot2 - 2-D Plotting software for Mac (donation)

A program for creating orthogonal 2-D and 3-D plots
Teraplot (commercial software)