Match electronic pol. charge
Commits >
Commit 81aaf54c0a876807db604366b921af6af05ee8c1 >
Run foss_ppc_autotools: [foss2022a-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)