Match electronic pol. charge
Commits >
Commit b15abc005d0b5301cd748c91bbd98ee634ebaa25 >
Run spack_intel-2023a_impi >
Input 29-pcm_chlorine_anion.01-ground_state-n60.inp
| Value | Reference | Precision | Status |
| -7.842010250000000e+00 | -7.842010250000000e+00 | 3.920000000000000e-07 | PASS |
Command: GREPFIELD(pcm/pcm_info.out, ' 9 ', 7)