Match electronic pol. charge
Commits >
Commit 3c5618978387ff506850febf67c434621a2adfa2 >
Run intel_mpi_omp_autotools: [intel2022a-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)