Match Partial charge 3
Commits >
Commit 6186e1f92bb6a84e4a2e679736ea9db4d0c9eca5 >
Run spack_intel-2022a_serial_omp >
Input 17-scfinlcao_alt.01-gs.inp
| Value | Reference | Precision | Status |
| 7.023000000000000e+00 | 7.023000000000001e+00 | 3.510000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 4)