Match electronic pol. charge
Commits >
Commit fc620b07b8352e29314cbb5cb8516e7316f53ec5 >
Run foss-omp-full: [foss2023a-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)