Dear Steve:
I tried to dump a variable using dump custom, but always got an error. I appreaciate it very much if you could help me out.
Thank you very much.
Peter
My input file is as follows:
Testing with example of 3d Lennard-Jones melt
units lj
atom_style atomic
lattice fcc 0.8442
region box block 0 10 0 10 0 10
create_box 1 box
create_atoms 1 box
mass 1 1.0
velocity all create 3.0 87287
pair_style lj/cut 2.5
pair_coeff 1 1 1.0 1.0 2.5
neighbor 0.3 bin
neigh_modify every 20 delay 0 check no
fix 1 all nve
compute s all stress/atom
variable ss atom “c_s[1] + c_s[2]”
dump 1 all custom 50 output.txt x y z v_ss
thermo 50
run 250