Commit 319df973 authored by jboschen's avatar jboschen
Browse files

Fix typo in cmd line

parent 80168d0d

examples/COUPLE/lammps_nwchem/nwchem_wrap.py

+1 −1
Original line number Diff line number Diff line
@@ -418,7 +418,7 @@ while 1: 
  i += 1

  log = "nwchem_lammps.out"

  archive = "nwchem_logs/nwchem_lammps" + str(i) + ".out"

  cmd = nwchemcmd + " nwchem_lammps.nw > " log

  cmd = nwchemcmd + " nwchem_lammps.nw > " + log

  print("\nLaunching NWChem ...")

  print(cmd)

  subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)

CRA Git | Maintained and supported by SUSTech CRA and CCSE