Commit 46217db8 authored by Axel Kohlmeyer's avatar Axel Kohlmeyer
Browse files

make python functions examples more complete by adding exception handling and...

make python functions examples more complete by adding exception handling and initializing variables
parent 6070182f
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+15 −11
Original line number Diff line number Diff line
@@ -9,6 +9,7 @@ def loop(N,cut0,thresh,lmpptr):
  lmp = lammps(ptr=lmpptr)
  natoms = lmp.get_natoms()

  try:
    for i in range(N):
      cut = cut0 + i*0.1

@@ -22,3 +23,6 @@ def loop(N,cut0,thresh,lmpptr):
      pe = lmp.extract_compute("thermo_pe",0,0)   # extract total PE from LAMMPS
      print("PE",pe/natoms,thresh)
      if pe/natoms < thresh: return
  except Exception as e:
    print("LOOP error:", e)
+1 −0
Original line number Diff line number Diff line
@@ -28,6 +28,7 @@ python simple here """
from __future__ import print_function

def simple():
  foo = 0
  print("Inside simple function")
  try:
    foo += 1