Match Partial charge 5
Commits >
Commit 467aee6bb6aa6bf5b31aed5cccd88bd7f10f5124 >
Run spack_foss-2022a_serial_opt >
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, 6)