Hi,
I have been trying to use the relatively new LAMMPs rotate feature, and know that I have installed a recent (compatible) version- lammps/24Apr13.
When I attempt to run the script below, I get the error:
displace_atoms topg rotate 10 20 10 0 0 0 15.795 units lattice
ERROR: Zero length rotation vector with displace_atoms (displace_atoms.cpp:225)
INPUT SCRIPT (BELOW)
units metal
dimension 3
boundary p p p
atom_style atomic
lattice fcc 4.05
region whole block 0 20 0 40 0 20
create_box 2 whole
#----Define Top Grain
region top block INF INF 20 40 INF INF
create_atoms 1 region top
group topg region top
#------ Rotate Top Grain
displace_atoms topg rotate 10 20 10 0 0 0 15.795 units lattice
pair_style eam/alloy
pair_coeff * * Al99.eam.alloy Al Al
compute csym all centro/atom fcc
compute pe all pe/atom
thermo 50
thermo_style custom step lx ly lz etotal pe temp
shell mkdir Dump
shell cd Dump
dump 1 all cfg 500 dump_GBIndent_*.cfg id type xs ys zs c_csym c_pe fx fy fz
minimize 1.0e-25 1.0e-15 99999 999999
fix
echo both
Does anyone know why my prescribed rotation angle, 15.795 degrees, is being read as a “zero length vector”?
With regards,
Al99.eam.alloy (762 KB)