ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

remove debug statement

Browse Source
This commit is contained in:
Steve Plimpton
2019-10-03 17:04:40 -06:00
parent 5c92e5aa01
commit b9d68f93af
1 changed files with 0 additions and 1 deletions
Download Patch File Download Diff File Expand all files Collapse all files

1
examples/COUPLE/lammps_nwchem/nwchem_wrap.py
View File

@ -155,7 +155,6 @@ def nwchem_read_ao(natoms, log):
bohr2angstrom = 0.52917721092 bohr2angstrom = 0.52917721092
eout = eout * hartree2eV eout = eout * hartree2eV
fout = [i * hartree2eV/bohr2angstrom for i in fout] fout = [i * hartree2eV/bohr2angstrom for i in fout]
print(eout)
return eout,fout return eout,fout