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LPMD


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OS: Linux

License: Open Source





Las Palmeras Molecular Dynamics (LPMD) is a Molecular Dynamics (MD) code written from scratch in C++, as user-friendly, modular and multiplatform as possible. Some of its features are: it is an Open Source code, it works using plugins, it reads simple and intuitive configuration files, and also includes utility software to perform analysis, conversion, and visualization of MD simulations. Picture taken from a simulation made with lpmd and lpvisual plugin under a GNU/Linux distribution. This dynamics can be seen during or after the simulation.

What you can do with LPMD:
Analize output files from other programs (dlpoly, vasp, ...):
common neighbor analysis (cna)
pair distribution function (gdr)
velocity autocorrelation function (vacf)

Use lpmd-converter to convert from one file format to another:
convert dlpoly history to pdb file
convert dlpoly history to an xyz file
convert an xyz file to dlpoly history
convert an pdb file to xyz file
...any other combination between available formats.

Create crystal and non-orthogonal cells quickly
Make cylindrical, cubic and spherical cuts to the simulation cell.
Identify cell regions (labeling atoms)
Paint the atoms by property, species, and labels (among others).

http://www.gnm.cl/lpmd/



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