Match nuclear pol. charge
Commits >
Commit db5a37a45dcf968be97880dd1f5766f32ce63f3a >
Run foss-mpi-omp-full: [foss2023a-mpi] >
Input 29-pcm_chlorine_anion.04-ground_state-n240.inp
Value | Reference | Precision | Status |
6.909527200000000e+00 | 6.909527199999999e+00 | 3.450000000000000e-06 | PASS |
Command: GREPFIELD(pcm/pcm_info.out, ' 9 ', 9)