Match electronic pol. charge
Commits >
Commit fe1e2fbde8e2f64defe360a8f89092b8d1773e8d >
Run intel_mpi_omp_autotools: [intel2022a-mpi] >
Input 29-pcm_chlorine_anion.03-ground_state-n60-poisson.inp
| Value | Reference | Precision | Status |
| -7.841600340000000e+00 | -7.841600340000000e+00 | 7.840000000000000e-14 | PASS |
Command: GREPFIELD(pcm/pcm_info.out, ' 9 ', 7)