Dear LAMMPS user,
Can we use read_restart command with pair_style buck/coul/long/cs.
I am trying to use the read_restart command in the input file given below.
The output is LAMMPS (16 Feb 2016)
ERROR: Illegal read_restart command (…/read_restart.cpp:77)
#------------------------INITIALIZATION----------------------------
units metal
dimension 3
boundary p p p
atom_style full
#-----------------------ATOM DEFINITION----------------------------
fix csinfo all property/atom i_CSID
read_restart restart2 fix csinfo NULL CS-Info
group cores type 1 2 3 4
group shells type 5 6 7 8
neighbor 2.0 bin
comm_modify vel yes
------------------------FORCE FIELDS------------------------------
kspace_style ewald 1.0e-6
pair_style buck/coul/long/cs 11.0 # A, rho, sigma=0, C, D
pair_coeff * * 0.0 1.0 0.0
pair_coeff 5 8 1000.30 0.2000 0.0 #La-O
pair_coeff 6 8 2000.0 0.3000 0.0 #Sr-O
pair_coeff 7 8 1000.82 0.4000 20.0 #Cu-O
pair_coeff 8 8 22764.3 0.1990 43.0 #O-O
bond_style harmonic
bond_coeff 1 750.0 0.0
bond_coeff 2 21.43 0.0
bond_coeff 3 222.3 0.0
bond_coeff 4 42.0 0.0
------------------------ Equilibration Run -------------------------------
#reset_timestep 0
thermo 200
thermo_style custom step temp pe etotal press vol cella cellb cellc cellalpha cellbeta cellgamma
compute CSequ all temp/cs cores shells
thermo_modify temp CSequ
velocity bias option
restart 10000 restart3 restart4
#velocity all create 1600 134 dist gaussian mom yes rot no bias yes temp CSequ
#velocity all scale 1600 temp CSequ
fix 1 all npt temp 1600.0 1600.0 0.05 x 1.0 1.0 0.5 y 1.0 1.0 0.5 z 1.0 1.0 0.5 couple xyz yz 0.0 0.0 0.5 xz 0.0 0.0 0.5 xy 0.0 0.0 0.5
fix_modify 1 temp CSequ
0.5 fmsec timestep
timestep 0.0005
run 10000
compute pe all pe/atom
------------------------ Dynamic Run -------------------------------
dump 1 all custom 200 Trajectory3 id xu yu zu vx vy vz c_pe
run 10000
Regards
Omkar