diff --git a/examples/COUPLE/lammps_nwchem/nwchem_wrap.py b/examples/COUPLE/lammps_nwchem/nwchem_wrap.py index 82eaf0d2e4..7bbed54e7d 100644 --- a/examples/COUPLE/lammps_nwchem/nwchem_wrap.py +++ b/examples/COUPLE/lammps_nwchem/nwchem_wrap.py @@ -155,7 +155,6 @@ def nwchem_read_ao(natoms, log): bohr2angstrom = 0.52917721092 eout = eout * hartree2eV fout = [i * hartree2eV/bohr2angstrom for i in fout] - print(eout) return eout,fout