Tags: LAMMPS

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  1. Can I request for multiple nodes when running LAMMPS on Nanohub?

    Closed | Responses: 0

    The LAMMPS tool on Nanohub has two features – atomic slip stick simulator and polymer modeler. Is there a way to perform simulations on LAMMPS other than the above on NANOHUB....

    http://nanohub.org/answers/question/1156

  2. Error message: Can’t find file log.lammps

    Closed | Responses: 1

    I am trying to run a simple test example that I have run before, but all I get is an error message: "Can't find file log.lammps" ... Can't understand the equivalent command...

    http://nanohub.org/answers/question/1506

  3. What are the Dreiding paramters for graphene ?

    Closed | Responses: 1

    Hi,

    I am using lammps to simulate PMMA-graphene composite system. I used polymer modeller to create the PMMA chains. I want to add the graphene sheet but I am not sure what bond_coeff,...

    http://nanohub.org/answers/question/1596

  4. when I runn with my own exe.lammps 3 minimize has done but at fix 1 all nvt temp 300.0 300.0 100.0 this error apear: ERROR: All pair coeffs are not set (../pair.cpp:175) I will be very thankfull.

    Closed | Responses: 1

    http://nanohub.org/answers/question/1589

  5. a question about ECHENDID package

    Closed | Responses: 0

    Dear sir / madam

    I want to use ECHEMDID package, I tried ECM example in computers with different CPU numbers, but there is not any change in speed and it takes very long...

    http://nanohub.org/answers/question/1987

  6. Atomic Stick-Slip

    09 Nov 2009 | | Contributor(s):: Ashlie Martini, Jianguo Wu

    Molecular dynamics simulation of atomic stick-slip friction

  7. Brenden William Hamilton

    PhD student in Materials Engineering at Purdue with a focus in shock response of materials and energetic materials. Current works include energy localization and transport, as well as quantum...

    http://nanohub.org/members/121311

  8. Change simulation box once in LAMMPS

    Closed | Responses: 0

    Dear all,

    I have the following problem:

    I generate successfully in Polymer Modeler an initial configuration of PE (degree of polymerization 100, 26 chains) in a box of...

    http://nanohub.org/answers/question/1844

  9. Dan Karls

    http://nanohub.org/members/55419

  10. Electrochemical Simulation

    20 Jul 2017 | | Contributor(s):: Joseph Anderson

    Simulate molecular dynamics using LAMMPS as well as an addition electrochemical force field (EChemDID)

  11. Glass transition temperature notebook

    22 May 2017 | | Contributor(s):: Benjamin P Haley, Lorena Alzate-Vargas

    Calculate the glass transition temperature of an atomistic, amorphous system by running MD simulations in a notebook

  12. LAMMPS

    27 Mar 2014 | | Contributor(s):: Benjamin P Haley

    Run LAMMPS by uploading a data file and command script.

  13. LAMMPS (Large-Scale Atomic/Molecular Massively Parallel Simulator)

    This page provides links to various nanoHUB resources related to LAMMPS (Large-Scale Atomic/Molecular Massively Parallel Simulator). The Polymer Modeler tool, powered by LAAMPS, builds...

    http://nanohub.org/wiki/LAMMPS

  14. LAMMPS Data-File Generator

    01 Aug 2017 | | Contributor(s):: Carlos Miguel Patiño, Lorena Alzate-Vargas, Chunyu Li, Benjamin P Haley, Alejandro Strachan

    This tool generates all necessary input files for LAMMPS simulations of molecular systems starting with an atomistic structure.

  15. LAMMPS Structure Analysis Toolkit

    07 Dec 2017 | | Contributor(s):: Nicholas J Finan, Saaketh Desai, Sam Reeve, Alejandro Strachan

    Perform structural analysis on trajectories in LAMMPS dump format

  16. LAMMPS structure generator

    01 Nov 2016 | | Contributor(s):: Benjamin P Haley

    Convert a molecular structure file to a LAMMPS data file with force field parameters

  17. Luis César Aliaga

    http://nanohub.org/members/103848

  18. Michael Worku

    http://nanohub.org/members/150665

  19. Molecular Dynamics Simulation of Displacement Cascade in Molybdenum

    06 Dec 2018 | | Contributor(s):: Gyuchul Park, Alejandro Strachan

    Displacement cascade in molybdenum was conducted by using Molecular Dynamics (MD) Simulation method. LAMMPS tool was used to run the simulation at nanoHUB. Three primary questions were answered from the simulation:1. The number of displaced atoms/interstitials with respect to time when the...

  20. nuSIMM: nanoHUB user Simulation Interface for Molecular Modeling

    26 May 2015 | | Contributor(s):: Michael Fortunato, Lauren Abbott, Kyle E Hart, coray colina

    Simulated polymerization, equilibration, and characterization of molecular models