LAMMPS is run from the command line, reading commands from a file via the -in lmp_serial lammps/src/lmp_serial < src # content files for LAMMPS documentation html # HTML version of the LAMMPS manual (see html/) tools # tools and settings for building the. The LAMMPS “version” is the date when it was released, such as 1 The LAMMPS documentation is organized into the following sections.
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Whenever we fix a bug or add a feature, we release it immediately, and post a notice on this page of the WWW site. Every months one of the documsntation releases is subjected to more thorough testing and labeled as a stable version. LAMMPS is a classical molecular dynamics simulation code designed to run efficiently on parallel computers.
If you find errors or omissions in this manual or have suggestions for useful information to add, please send an email to the developers so we can improve the LAMMPS documentation.
fix poems — LAMMPS documentation
PDF file of the entire manual, generated by htmldoc. If you browse the HTML doc pages included in your tarball, they describe the version you have. There is also a Developer. Steve Plimptonsjplimp at sandia.
PDF file of the entire manual, generated by htmldoc User Documentation 1. Open source distribution 1.
Acknowledgments and citations 2. Input script structure 3.
Commands listed by category 3. Packages lajmps optimized styles 5. Comparison of various accelerator packages 6. Restarting a simulation 6. Running multiple simulations from one input script 6.
TIP3P water model 6. TIP4P water model 6. SPC water model 6. Triclinic non-orthogonal simulation boxes 6. Finite-size spherical and aspherical particles 6. Thermostatting, barostatting, and computing temperature 6.
Calculating thermal conductivity 6. Calculating a diffusion coefficient 6.
Using chunks to calculate system properties 6. Drude induced dipoles 7. Bond, angle, dihedral, improper potentials Doumentation custom output options Input script commands Thermodynamic output options Installing the Python wrapper into Python Extending Python with MPI to run in parallel Future and history