Match electronic pol. charge
Commits >
Commit 3874475d54e6d4931162c1a62f5667add8f8f561 >
Run foss_min_autotools: [foss2022a-serial] >
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)