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Re: [lammps-users] Output analysis
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Re: [lammps-users] Output analysis

From: Axel Kohlmeyer <akohlmey@...24...>
Date: Mon, 18 Dec 2017 15:20:15 -0500

On Mon, Dec 18, 2017 at 2:41 PM, Robert McAllen <mm229196@...7278...> wrote:
Dear all

Despite wondering computational ability of LAMMPS, I've faced a dilemma how to analysis my simulation outputs.

​i think that is more a dilemma of not searching the web and reading the manual enough.​
That is, other simulators such as GROMACS provide convenient facilities for statistical analysis of results. For example, RDF, density, coordination number and so on. 

​many of these features you can do in LAMMPS via computes and fixes *during* the simulation (and often in parallel). the manual has many examples in the HowTo sections and in the input examples folders. 
apart from that, you can also use the tools bundled with other MD codes, e.g. gromacs or standalone tools like, and others listed here:

Are there similar options or alternative programmes for LAMMPS?

​many. LAMMPS is very flexible in how it produces output and ​thus can produce output compatible with all kinds of tools or output files that are easy to parse with scripts of your own.




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Dr. Axel Kohlmeyer  akohlmey@...24...
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.