EntraPT is a new web-application for elastic geobarometry. It is designed to make elastic thermobarometry easier. You can graphically analyze the measured residual strains of your samples and estimate their entrapment conditions, all in one place. It also makes easy to export, reuse, share and compare your data.

EosFit is a software suite for calculations involving both thermal expansion and equations of state. available at www.rossangel.com The current version is EosFit7.6, which now includes five major components:

EosFit7c: a console program that runs under Windows, Mac-OSX and Linux to manipulate EoS data, fit equations of state and thermal expansion, and to perform EoS calculations, but without graphics. EosFit7c is our development platform. It therefore includes some facilities for more advanced analysis (such as for continuous phase transitions, and strain tensors) than are available in EosFit7 GUI.

EosFit7 GUI: a full-GUI program that runs under Windows, Mac-OSX and Linux. 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. Very useful for teaching and learning about EoS and EoS parameters.

EosFit7 calculator: a GUI to do simple P-V-T calculations for Eos. See the EoS Utilities page.

EosFit7-Pinc: a GUI to do host-inclusion calculations with non-linear elasticity (i.e. proper EoS). See the EoS Utilities page.

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 EosFit-7c. It is available from the CrysFML website.

Crystal Palace: A program for Crystal Parametric Analysis, Least squares and Atomic Coordination with Estimated uncertainties

The organisation and analysis of crystal structure data from a parametric study (e.g. as a function of pressure and/or temperature) is a challenge!

Use of conventional programs that handle one refined crystal structure at a time is very time consuming and runs the risk of introducing cut-and-paste errors into final tables. And a major shortcoming of crystallographic information format (cif) files as currently used is that they do not contain the full variance-covariance matrix from the structure refinement, but only the uncertainties of the individual positional parameters. Without the covariance of positional parameters, the esu’s of bond lengths and angles cannot be determined.

Crystal Palace is a new Windows program that solves these challenges for you available at www.rossangel.com:

• It reads in your refined structure as a function of P or T or composition from a cif or cifs. For information about cifs visit the IUCr website.
• It identifies the equivalent atoms in each of the structures, even if they have different site names or occupancies.
• It calculates bond lengths, angles, polyhedral volumes and distortion parameters, bond valences and thermal motion corrections to bond lengths.
• It produces tables of all of these, ordered by pressure or temperature; no manual editing of tables ever again!
• It uses symmetry to estimate the covariance of atomic coordinates and thus the esu’s of structural parameters.
• It can write new cifs and export unit-cell data and polyhedral volumes to the EosFit program to allow their thermal expansion and compressibility to be fitted with equations of state.