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Update examples to use Python API constants

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This commit is contained in:
Richard Berger
2020-09-16 16:10:43 -04:00
parent c82df186b5
commit e6703019bc
4 changed files with 33 additions and 34 deletions
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8
examples/python/in.fix_python_invoke_neighlist
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@ -20,7 +20,7 @@ neigh_modify every 20 delay 0 check no
python post_force_callback here """
from __future__ import print_function
from lammps import lammps
from lammps import lammps, LAMMPS_INT
def post_force_callback(lmp, v):
try:
@ -35,9 +35,9 @@ def post_force_callback(lmp, v):
#mylist = L.get_neighlist(0)
mylist = L.find_pair_neighlist("lj/cut", request=0)
print(pid_prefix, mylist)
nlocal = L.extract_global("nlocal", 0)
nghost = L.extract_global("nghost", 0)
ntypes = L.extract_global("ntypes", 0)
nlocal = L.extract_global("nlocal", LAMMPS_INT)
nghost = L.extract_global("nghost", LAMMPS_INT)
ntypes = L.extract_global("ntypes", LAMMPS_INT)
mass = L.numpy.extract_atom_darray("mass", ntypes+1)
atype = L.numpy.extract_atom_iarray("type", nlocal+nghost)
x = L.numpy.extract_atom_darray("x", nlocal+nghost, dim=3)