I got four questions when using LAMMPS.
Question 1: How to formulate an ensemble consisted of two types of
atoms (i.e., CU and AL) in LAMMPS input script?
Question 2: A stretched nanowire should always have positive ensemble
stress. However, when using thermo-pressure (output in pressure.cpp)
to measure the ensemble, I sometimes observe the negative stress. Why
did it happen?
Question 3: What is the thermo-pressure unit of LAMMPS when used to
Question 4: How to define an sphere indenter (in 3D cases)?
The script command
"fix 4 all indent 10.0 sphere 10.0 10.0 20.0 2.5 vel 0.0 0.0 -1.0"
always leads to following error message
"ERROR: Illegal fix indent command".
Thanks for your attention!