Match electronic pol. charge
Commits >
Commit f1dbe11076ccb3bb542605fe66566061d8720041 >
Run spack_foss-2023a_serial_opt >
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)