Match Partial charge 5
Commits >
Commit 1bf2bc61d0085049d6bd7294e2825d85d95584e0 >
Run foss-mpi-debug: [foss2023a-mpi] >
Input 17-scfinlcao_alt.01-gs.inp
| Value | Reference | Precision | Status |
| 7.024000000000000e+00 | 7.024000000000000e+00 | 3.510000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 6)