EosFit7 is a suite of programs and a subroutine library to perform calculations involving both thermal expansion and equations of state. The main components are:
- EosFit7c: a console program that runs under Windows, Linux and MAC-OS to manipulate EoS data, fit equations of state and thermal expansion, and to perform EoS calculations, but without graphics. EosFit7c is our development platform. Therefore it has the most recent developments, and includes the tools for handling more complicated datasets and EoS, such as those with a continuous phase transition.
- EosFit7 GUI: a full-GUI program that runs under Windows, Linux and MAC-OS. It provides all of the tools needed to visualise and analyse the variations of unit-cell parameter and volume data with pressure and/or temperature for single simple EoS. It does not handle more complicated situations like continuous phase transitions.
- EosFit7 calculator: a GUI to do P-V-T calculations (no fitting) in Windows, Linux and MAC-OS.
- EosFit7 Pinc: a GUI to do host-inclusion calculations for isotropic elasticity. Windows only.
- cfml_eos: a validated set of Fortran modules that can be ‘used’ (in the Fortran sense) to easily write programs that can read, manipulate and fit EoS data, and perform related calculations for EoS. It was used to write EosFit7 GUI and EosFit7c. It is available from the CrysFML website.
The EosFit programs and library are distributed on a non-commercial basis. Further development and support is only possible if you continue to acknowledge their use by reference to:
- EosFit7c and use of the cfml_eos: Angel RJ, Gonzalez-Platas J, Alvaro M (2014) EosFit7c and a Fortran module (library) for equation of state calculations. Zeitschrift für Kristallographie, 229, 405-419. A reprint is included in the distribution, and copies are also available through the web site www.rossangel.net.
- Fitting moduli: Milani S, Angel RJ, Scandolo L, Mazzucchelli ML, Boffa-Ballaran T, Klemme S, Domeneghetti MC, Miletich R, Scheidl KS, Alvaro M, Derzsi M, Tokar K, Nestola F (2017) Thermo-elastic behaviour of grossular garnet at high pressures and temperatures. American Mineralogist 102:851-859.
- Continuous phase transition models: Angel RJ, Alvaro M, Miletich R, Nestola F (2017) A simple and generalised P-T-V EoS for continuous phase transitions, implemented in EosFit and applied to quartz. Contributions to Mineralogy and Petrology, 172:29.
- EosFit7-Pinc: Angel RJ, Mazzucchelli ML, Alvaro M, Netsola F (2017) EosFit-Pinc: A simple GUI for host-inclusion elastic thermobarometry. American Mineralogist, 102:1959-1960.
- MPhase utility and calculations: Musiyachenko KA, Murri M, Prencipe M, Angel RJ, Alvaro M (2021) A new Grüneisen tensor for rutile and its application to host-inclusion systems. American Mineralogist 106: in press, doi:10.2138/am-2021-7618
- Scaling in least-squares refinements: Ehlers AM, Zaffiro G, Angel RJ, Boffa-Ballaran T, Carpenter MA, Alvaro M, Ross NL (2021) Thermoelastic properties of zircon: implications for geothermobarometry. American Mineralogist 10: accepted, doi:10.2138/am-2021-7731
- Self-consistent cell parameter calculations and the Cell utility: Angel RJ, Mazzucchelli ML, Gonzalez-Platas J, Alvaro M, F (2022) A self-consistent approach to determine unit-cell parameter variations with pressure and temperature. In preparation
- Calculation of anisotropic inclusions strains in the HostInc utility: Gonzalez JP, Mazzucchelli ML, Angel RJ, Alvaro M (2021) Elastic geobarometry for anisotropic inclusions in anisotropic host minerals: quartz-in-zircon. Journal of Geophysical Research Solid Earth: in press
If you would like to receive program updates (including bug fixes), please register as a user by sending an e-mail to rossangelsoftware@gmail.com, including your name and affiliation.
If you discover apparent bugs in the program, please send the input file, a log file and a full description of the problem by e-mail to rossangelsoftware@gmail.com. Further information will be posted on the web site www.rossangel.net.
Corrections and suggestions to this manual can be sent to the same address. Thank you!