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I have successfully run a NVE simulation by using core shell potential and I use the commands compute CSequ all temp/cs cores shells thermo_modify temp CSequ fix thermoberendsen all...
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Can anybody please explain what is the difference between self diffusion coefficient and tracer diffusion coefficient? How these quantities are related to the chemical diffusion? what is...
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LAMMPS : Potential energy of entire system is coming almost two time as the sum of potential energy of individual atoms in the system calculated by compute 3 all pe/atom compute 4 all reduce sum...
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Hello If someone can answer this question about LAMMPS. I have calculated the pe/atom using the command compute ID all pe/atom. Then I add all the PE of individual atom I have obtained in one...
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