snapshot of analyzed structure


Euler is a command line tool for processing and analysing atomic data, for example from molecular dynamics simulations. The idea of the program is that one read's in a system from a file, or constructs one from a basis, and then all commands given as command line arguments are executed on the system in the order in which they're given, so various combinations can be used flexibly to achieve more than any single command could.

The program currently supports well xyz-files and constructing a system using a basis with a simple file format. It works especially well with the xyz-files produced by the MD-code Parcas, but also has for example LAMMPS-functionality.

Features include basic manipulation, clustering, removing atoms based on different criteria, and different analysis methods such as common neighbour analysis, identifying liquid/solid atoms, identifying bonds, hydrogen bonds and molecules, searching for vacancies, etc.


Euler is licenced under GPL v2, except that it contains the Mersenne Twister random number generator, the licence of which is here.



The program is standard C++ and should be easy enough to compile. GSL is needed, though. For help on usage, run without arguments and see the man-file.

The versions will be identified by the Subversion revision.