Dear all,
I have a question about new and old version software.
- Recently, I have found that the same input for relaxation of dislocation in new and old version LAMMPS, will obtain different relaxation results. In old version, the atoms are arranged well, while in new version atoms are in wrong sites but maintain right configuration, I am puzzled about these results.
The input file is the following:
units metal
dimension 3
boundary s s s
atom_style molecular
read_data data.type1
pair_style sw
pair_coeff * * GaN.sw Ga N
compute 2 all stress/atom
compute 3 all pe/atom
fix 2 all nve
run
thermo 100
minimize 1.0e-4 1.0e-6 100 1000
#timestep 0.001ps
dump 2 all xyz 100 dump.crystal
run 10000000
- If I only use nve command without langevin , How does the LAMMPS determine the temperature of the system?
Best wishes,
Xiaojing
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