Match electronic pol. charge
Commits >
Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e >
Run foss_mpi_min_autotools: [foss2023a-mpi] >
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)