Match Partial charge 3
Commits >
Commit 6186e1f92bb6a84e4a2e679736ea9db4d0c9eca5 >
Run spack_foss-2023a_serial_min >
Input 16-scfinlcao_std.01-gs.inp
| Value | Reference | Precision | Status |
| 7.032000000000000e+00 | 7.032000000000000e+00 | 3.520000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 4)