- LAMMPS MACPORTS MANUALS
- LAMMPS MACPORTS CODE
LAMMPS MACPORTS CODE
msi2lmp - use Accelrys Insight code to setup LAMMPS input. micelle2d - create a data file of small lipid chains in solvent. lmp2traj - convert LAMMPS output to contour, density profiles. lmp2cfg - convert LAMMPS output to CFG files for Atomeye viz. lmp2arc - convert LAMMPS output to Accelrys Insight format. ipp - input pre-processor Perl tool for creating input scripts. eam_database - tool to generate EAM alloy potential files. data2xmovie - convert a data file to a snapshot that xmovie can viz. createatoms - generate lattices of atoms within a geometry. chain - create a data file of bead-spring chains. binary2txt - convert a LAMMPS dump file from binary to ASCII text. The following LAMMPS Tools are also installed: LAMMPS is most efficient (in a parallel sense) for systems whose particles fill a 3d rectangular box with roughly uniform density. Processors communicate and store “ghost” atom information for atoms that border their sub-domain. On parallel machines, LAMMPS uses spatial-decomposition techniques to partition the simulation domain into small 3d sub-domains, one of which is assigned to each processor. The lists are optimized for systems with particles that are repulsive at short distances, so that the local density of particles never becomes too large. For computational efficiency LAMMPS uses neighbor lists to keep track of nearby particles. In the most general sense, LAMMPS integrates Newton’s equations of motion for collections of atoms, molecules, or macroscopic particles that interact via short- or long-range forces with a variety of initial and/or boundary conditions. This includes distributed- or shared-memory parallel machines and Beowulf-style clusters. 
It will run on any parallel machine that compiles C++ and supports the MPI message-passing library. LAMMPS runs efficiently on single-processor desktop or laptop machines, but is designed for parallel computers. LAMMPS requires the following module file to run: LAMMPS stands for Large-scale Atomic / Molecular Massively Parallel Simulator. It can model atomic, polymeric, biological, metallic, granular, and coarse-grained systems using a variety of force fields and boundary conditions.
3.2 Benchmarks, Known Tests, Examples, Tutorials, and Other Resourcesįrom the LAMMPS manual: LAMMPS is a classical molecular dynamics code that models an ensemble of particles in a liquid, solid, or gaseous state. LAMMPS MACPORTS MANUALS
3.1 Home Page, User Guides, and Manuals.
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