Hello LAMMPS users, I am using LAMMPS window version 19 March 2020. I am using compute stress/atom and computed quantity is in units of pressurevolume as mentioned in LAMMPS doc. I have used metal units for which distance (in Angstroms), energy (in eV) and pressure (bars). Here, is computed quantity pressurevolume (for units metal) in bars*Angstroms^3 or eV? Thanks and regards, …

Dear LAMMPS users, I would like to ask how the tail correction is implemented in the NPT simulations. In the documentation page it is specified that: “These corrections are bookkeeping terms which do not affect dynamics, unless a constant-pressure simulation is being performed” and “Their effect will also be included in constant NPT or NPH simulations where the pressure influ…

Dear Lammps users I’m modeling a tensile test on CNT reinforced Aluminum alloy nanocomposite I would like to calculate the strain energy in the system using the command PE_strain[1] The fix that I’m using to apply a strain rate on the longitudinal direction of the cylindrical unit cell is as follows fix 1 all nvt temp 300 300 $(100.0*dt) variable strate equal 1e-4 fix 2 all d…

Does your system have 2 atom types? The (incorrect) line following the failing line suggests you have 3 atom types. The eam/alloy pair style requires a single pair_coeff line with mappings for all atom types. see the pair style eam/alloy documentation. note the page also documents other EAM pair styles which differ in the format of files they can read. 1 post - 1 par…

Hi everyone, Is there a default value for the precision of fix-type commands? If so, what is it? Is there a manual entry for that information? I searched for it, but couldn’t find it. Thank you beforehand for the assistance provided, 2 posts - 2 participants Read full topic