Match electronic pol. charge
Commits >
Commit f1dbe11076ccb3bb542605fe66566061d8720041 >
Run spack_foss-2022a_cuda_serial >
Input 29-pcm_chlorine_anion.03-ground_state-n60-poisson.inp
| Value | Reference | Precision | Status |
| -7.841996660000000e+00 | -7.841996660000000e+00 | 3.920000000000000e-07 | PASS |
Command: GREPFIELD(pcm/pcm_info.out, ' 9 ', 7)