Match electronic pol. charge
Commits >
Commit 3f59639a2c09960e9ce8b923e2789a20396f5ecf >
Run spack_intel-2022a_impi_omp >
Input 29-pcm_chlorine_anion.04-ground_state-n240.inp
| Value | Reference | Precision | Status |
| -7.841153280000000e+00 | -7.841153279999999e+00 | 3.920000000000000e-07 | PASS |
Command: GREPFIELD(pcm/pcm_info.out, ' 9 ', 7)