Match Partial charge 1
Commits >
Commit 6dda27ed08cd9fd2b2f861e6109ead2bd6d3cd56 >
Run foss_opt_autotools: [foss2023a-serial] >
Input 17-scfinlcao_alt.01-gs.inp
| Value | Reference | Precision | Status |
| 3.983000000000000e+00 | 3.983000000000000e+00 | 1.990000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 2)