Match electronic pol. charge
Commits >
Commit f8aeac8acec97cad57d0dc81a915c34dc5591a3a >
Run foss_mpi_autotools: [foss2023a-mpi] >
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)