Tags: LAMMPS

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Description

LAMMPS

LAMMPS, Large-scale Atomic/Molecular Massively Parallel Simulator, is a classical molecular dynamics code with a focus on materials modeling.

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.

Launch LAMMPS tool
LAMMPS website

Questions & Answers (1-11 of 11)

  1. How to make p3ht polymers

    Q&A|Closed | Responses: 5

    I want to make a polymer of p3ht but it doesn't work. when I try to make a polymer by uploading a p3ht monomer in z-matrix format, only Monomer-zmatrices,OutputLog,Download is displayed in...

    https://nanohub.org/answers/question/2594

  2. TypeError: 'NoneType' object is not subscriptable

    Q&A|Closed | Responses: 3

    Hello, thank you for uploading this great tool.

    I uploaded a pdb file of graphene generated by Material Studio and chose the Dreiding force field. ...

    https://nanohub.org/answers/question/2511

  3. How do I run the example Si in.elastic test example in the nanohub Lammps tool

    Q&A|Closed | Responses: 2

    The example for elastic stress that comes with lammps uses...:  in.elastic and init.mod and potential.mod and displacement.mod and Si.wc files. How do I run this 'simple'...

    https://nanohub.org/answers/question/2475

  4. Is there a way to add voronoi/atom compute to lammps?

    Q&A|Closed | Responses: 2

    I am trying to monitor the average stress on each atom as a graphene sheet gets pulled apart. I planned on doing this by dividing the force on each atom by the volume of the atoms. However the...

    https://nanohub.org/answers/question/2147

  5. Tabulting potencial LAMMPS

    Q&A|Closed | Responses: 1

    Hi,

    I have a potential for a molecule which depends on (r, theta, phi), also at different part cell has different variable, is it possible to tabulate such potential in...

    https://nanohub.org/answers/question/2105

  6. a question about ECHENDID package

    Q&A|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...

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

  7. Change simulation box once in LAMMPS

    Q&A|Closed | Responses: 1

    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...

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

  8. What are the Dreiding paramters for graphene ?

    Q&A|Open | 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,...

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

  9. 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.

    Q&A|Closed | Responses: 1

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

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

    Q&A|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...

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

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

    Q&A|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....

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