Match electronic pol. charge
Commits >
Commit c9606f298ccf4e57d14167459d26815f7508aa3e >
Run foss_autotools: [foss2023b-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)