Match electronic pol. charge
Commits >
Commit fe1e2fbde8e2f64defe360a8f89092b8d1773e8d >
Run cuda-mpi-omp: [foss2022a-cuda-mpi] >
Input 29-pcm_chlorine_anion.04-ground_state-n240.inp
| Value | Reference | Precision | Status |
| -7.840514180000000e+00 | -7.840514180000000e+00 | 7.840000000000000e-14 | PASS |
Command: GREPFIELD(pcm/pcm_info.out, ' 9 ', 7)