Extend lib interface to set fix external callback

This allows creating a callback in Python and attaching it to
a fix external instance.
This commit is contained in:
Richard Berger
2019-08-20 14:04:49 -06:00
parent 8cfdf4fad5
commit 2b42428d28
5 changed files with 141 additions and 2 deletions

View File

@ -0,0 +1,23 @@
# LAMMPS input for coupling LAMMPS with Python via fix external
units metal
dimension 3
atom_style atomic
atom_modify sort 0 0.0
lattice diamond 5.43
region box block 0 1 0 1 0 1
create_box 1 box
create_atoms 1 box
mass 1 28.08
velocity all create 300.0 87293 loop geom
fix 1 all nve
fix 2 all external pf/callback 1 1
#dump 2 all image 25 image.*.jpg type type &
# axes yes 0.8 0.02 view 60 -30
#dump_modify 2 pad 3
thermo 1