Dear LAMMPS Users;
I am trying to use "fix indent command" using planar indenter. Also, I
want to move my indenter with a velocity (say 5). However, when I run
my script, I got the following error:
"ERROR: This variable thermo keyword cannot be used between runs
(thermo.cpp:975)"
I am not sure, the error is due to my input script or something else.
Any help would be highly appreciated !
My input script is below
Thanks
Rahul Bhowmik
Air Force Research Laboratory
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units real
dimension 3
boundary p p p
neigh_modify delay 2 every 1
atom_style full
bond_style harmonic
angle_style harmonic
dihedral_style harmonic
pair_style lj/cut/coul/long 12
pair_modify mix arithmetic
kspace_style pppm 1e-4
read_restart restart.data.300000
special_bonds amber
thermo 1
thermo_style custom step temp xlo xhi ylo yhi zlo zhi pe ke
elaplong dt etotal
timestep 1.0
#restart 10000 restart.data
fix 2 all nvt temp 300.0 300.0 1.0
variable p equal "60 + 5*elaplong*dt"
fix IND all indent 10 plane z $p hi units box
dump dump_struct all dcd 100 PSS_PDT_push.dcd
dump_modify dump_struct unwrap yes
dump dump_struct_wrap all dcd 100 PSS_PDT_push_wrap.dcd
run 200
unfix 1
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