Match electronic pol. charge
Commits >
Commit 3f3300a09a325083399ad405019c399609c6d1c2 >
Run foss-serial-min: [foss2023b-serial] >
Input 29-pcm_chlorine_anion.01-ground_state-n60.inp
Value | Reference | Precision | Status |
-7.841557280000000e+00 | -7.841557280000000e+00 | 3.920000000000000e-07 | PASS |
Command: GREPFIELD(pcm/pcm_info.out, ' 9 ', 7)