A collection of input files for LAMMPS, modularized as much as possible to allow for easy setup of new simulations.
Maintained by Sebastian Hütter.
Since LAMMPS does not support search paths, all files are located in one flat directory.
Instead of using subfolders, they follow a namespace-style naming scheme. For easier
access in job scripts, it is recommended to either clone this repository to a subdirectory
of your work folder, or create a symlink to a working copy shared between multiple
simulations. For instance, if this repository is accessible in a subdirectory called
blocks, one might call up a potential as follows:
include blocks/potential.feal.lmp
- lattice: general lattice setup
- utl: utilities, not operation-specific
- atoms: modify atoms in simulation box
- potential: potentials for various uses with correct
pair_styleetc. - mm: molecular mechanics (T=0K simulations)
- md: molecular dynamics (T>0K simulations)
Copyright (c) 2014-15, Sebastian Hütter (sebastian.huetter@st.ovgu.de)
All rights reserved.
Redistribution and use in source and binary forms, with or without
modification, are permitted provided that the following conditions are met:
* Redistributions of source code must retain the above copyright notice, this
list of conditions and the following disclaimer.
* Redistributions in binary form must reproduce the above copyright notice,
this list of conditions and the following disclaimer in the documentation
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