Match Partial charge 1
Commits >
Commit 3186a8a51be7ad5a27ccff6e8e2901df0a16a559 >
Run GCI_foss_opt_autotools: [foss2023a-serial] >
Input 33-cg.01-orthogonalize_all.inp
| Value | Reference | Precision | Status |
| 4.123000000000000e+00 | 4.123000000000000e+00 | 2.060000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 2)