Commit 56b4d794 authored by Michael Banck's avatar Michael Banck

* debian/control (Description): List supported fileteypes and

    available analysis features.
parent e48b30c6
......@@ -6,6 +6,8 @@ travis (140117-2) UNRELEASED; urgency=low
[ Michael Banck ]
* debian/travis.1: Add LAMMPS and DLPOLY to trajectory filetypes and
document -stream option.
* debian/control (Description): List supported fileteypes and
available analysis features.
-- Daniel Leidert <dleidert@debian.org> Sat, 18 Jan 2014 23:02:41 +0100
......
......@@ -20,4 +20,34 @@ Description: trajectory analyzer and visualizer
as possible in one program, creating a powerful tool and making it
unnecessary to use many different programs for evaluating simulations.
This should greatly rationalize and simplify the workflow of analyzing
trajectories.
trajectories. The following analysis functions are available:
.
Static (time independent) Functions:
* Combined Distribution Function
* Radial Distribution Function
* Angular Distribution Function
* Dihedral Distribution Function
* Point-Plane Distance Distribution
* Point-Line Distance Distribution
* Plane Projection Distribution
* Fixed Plane Density Profile
* Density Distribution Function
* Spatial Distribution Function
* Pseudo SDF (only 2 ref. atoms)
* Dipole Distribution Function
* Evaluate structural condition
.
Dynamic (time dependent) Functions:
* Velocity Distribution Function
* Mean Square Displacement / Diffusion Coefficients
* Velocity Autocorrelation Functions
* Vector Reorientation Dynamics
* Van Hove Correlation Function
* Aggregation Functions (DACF, DLDF, DDisp)
.
Spectroscopic Functions:
* Calculate Power Spectrum
* Calculate IR Spectrum
* Calculate Raman Spectrum
.
TRAVIS can read trajectory files in XYZ, PDB, LAMMPS or DLPOLY format.
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