What can you do with LAMMPS?

What can you do with LAMMPS?

LAMMPS has potentials for solid-state materials (metals, semiconductors) and soft matter (biomolecules, polymers) and coarse-grained or mesoscopic systems. It can be used to model atoms or, more generically, as a parallel particle simulator at the atomic, meso, or continuum scale.

What is LAMMPS stand for?

LAMMPS is a large scale classical molecular dynamics code, and stands for Large-scale Atomic/Molecular Massively Parallel Simulator. LAMMPS has potentials for soft materials (biomolecules, polymers), solid-state materials (metals, semiconductors) and coarse-grained or mesoscopic systems.

What is LAMMPS written?

LAMMPS/Programming languages
The current LAMMPS is written in C++. Older versions of LAMMPS were written in F90 (LAMMPS 2001) and F77 (LAMMPS 99). A summary of their features is listed here. The Fortran versions do not have all the features of the C++ version, nor is any further development planned for them, other than bug fixes.

How do you run LAMMPS?

4.4. Running LAMMPS on Windows

  1. Get a command prompt by going to Start->Run… , then typing “cmd”.
  2. Move to the directory where you have your input script, (e.g. by typing: cd “Documents”).
  3. At the command prompt, type “lmp -in in. file”, where in. file is the name of your LAMMPS input script.

How do I convert PDB to Lammps data?

To convert the AA PDB file to LAMMPS input file, we use CG-it. CG-it requires the parameter and topology files in json format….AA PDB file → LAMMPS input file

  1. Open “step5_assembly.
  2. Open Tk console (Menu-Extensions-TkConsole).
  3. Select atoms and convert to CG description.

How do I install Lammps?

  1. 2.1. Download an executable for Linux.
  2. 2.2. Download an executable for Mac.
  3. 2.3. Download an executable for Windows.
  4. 2.4. Download an executable for Linux or Mac via Conda.
  5. 2.5. Download source and documentation as a tarball.
  6. 2.6. Download the LAMMPS source with git.

How do I know what version of Lammps I have?

The version date is printed to the screen and logfile every time you run LAMMPS. It is on the first page of the HTML version of the manual. It is also in the file src/version. h and in the LAMMPS directory name created when you unpack a tarball.

How do I download Lammps for Windows?

Step 1: Locate and download LAMMPS software from this link.

  1. Step 2: Locate and double-click the lammps-64bit-20170127.exe file. (It will usually be in your Downloads folder.)
  2. Step 3: An installation menu will appear.
  3. Step 4: The software will be installed.
  4. Video: LAMMPS Installation in Windows 10.

How do I download LAMMPS on Windows 10?

How do I run LAMMPS with MPI?

For the MPI version, which allows you to run LAMMPS under Windows on multiple processors, follow these steps:

  1. Download and install MPICH2 for Windows.
  2. You’ll need to use the mpiexec.exe and smpd.exe files from the MPICH2 package.
  3. Get a command prompt by going to Start->Run… , then typing “cmd”.

How do I create a Lammps data file?

Click Create Data File:

  1. The tool will identify the atom types in the structure according to the force field and the bonded parameters such as bonds, angles and dihedrals: types and coefficients for the energy expression used in the force field.
  2. Non-bonded parameters will be also included in the data file.