I have been trying to use this fix in NVE ensemble. My box boundaries are periodic. The only restriction seems to be this but I always get the error: illegal fix style.
My fix statement is
fix 3 all uniaxial 200000 z 0.05
Is there any other restriction to this style?
Thank you,
Burcu E.
Burcu,
Do you have the most recent version of LAMMPS?
The fix statement you're using works fine for me ---
at least it runs and gives no errors. (See input
script below, which is a modified version of in.lj,
which is found in the bench folder.)
If this doesn't help, you might try sending us your
input to see if we can run it here.
Paul
# 3d Lennard-Jones melt
variable x index 20
variable y index 20
variable z index 20
units lj
atom_style atomic
lattice fcc 0.8442
region box block 0 $x 0 $y 0 $z
create_box 1 box
create_atoms 1
mass 1 1.0
velocity all create 1.44 87287 loop geom
pair_style lj/cut 2.5
pair_coeff 1 1 1.0 1.0 2.5
neighbor 0.3 bin
neigh_modify delay 0 every 20 check no
fix 1 all nve
fix 3 all uniaxial 200000 z 0.05
run 100