I'm trying to run a LAMMPS script in a Colab environment. However, whenever I try to use the fix command with arguments from the RIGID package the con ...
I'm trying to run a LAMMPS script in a Colab environment. However, whenever I try to use the fix command with arguments from the RIGID package the con ...
I am doing a relaxation calculation using gpu in a system of 800,000 atoms. Sometimes, I get the following error. Can you please tell me the cause and ...
I am trying to run a simulation on lammps on windows. After I try to run it using the command prompt by writing - "lmp_serial -in in.crack " into the ...
I installed LAMMPS on WIndows 10 to perform calculations on the GPU. Calculations on a very small scale completed without any problems, but when calcu ...
Problem definition: I wanted to construct spherical nanoparticles of maghemite nanoparticles(gamma Fe2O3) with a radius of 40 angstrom (4nm). I have t ...
I'm having trouble in trying to use this software as a python library. The instructions that appear in the LAMMPS' site (https://lammps.sandia.gov/doc ...
I want to add a force field that depends on the atom possition. I have tried to compute the atom position, the use that as a variable and then, set th ...
I am trying to install lammps on my M1 Macbook Pro with homebrew. But everytime I execute the $brew install lammps$ command, it shows: bottle not avai ...
Recently I'm doing some molecular dynamics simulations (LAMMPS) on my M1 Mac mini. For a simple task, I use command: I believe it means single CPU ...
I am trying to use the DREIDING force field for a polymer. How can i get the parameters for DREIDING? E.g. if i have ETHYLENE. What are the parameters ...
I am a newbie at programming and molecular dynamic simulations. I am using LAMMPS to simulate a physical vapor deposition (PVD) process and to determi ...
I have a a big text file which content something of the following: There is a total of 5 set of 2000 lines of data which I would like python to rea ...
I just started to use lammps and I'm having trouble with reading tersoff. data. How can I solve it I'm getting this error ...
I have a lammps_file.data and I need to convert it to Gromacs files (gro and top) to run my simulations. Does anyone know how to do this? Another choi ...
I've been searching all the Internet looking for this answer but couldn't find. The thing is, I have a graphics card from AMD (R9 380). From what I wa ...
I tried to install lammps on my department machine with a newer version of 11Aug17. However, mpicxx gives error to the following lines: mpicxx -g -O3 ...
I have a source code that interfaces with LAMMPS. For the reasons that are beyond the scope of this forum, however, I have to maintain two working ver ...
I am trying to invoke the LAMMPS package from the terminal (OSX). The documentation here seems to indicate that under Mac OSX it will 'just work' and ...
I want to convert pmma85compositedata.initeq to a acceptable data file for lammps but I face with this error: Error: ...
I am trying to install LAMMPS in gpu. After following the steps given in http://lammps.sandia.gov/doc/accelerate_gpu.html, I have finished step (a) an ...