Match Partial charge 5
Commits >
Commit 6fea4ae0129736a1dfe4fc8183ca68b9f7403b45 >
Run foss-mpi-min: [foss2022a-mpi] >
Input 10-fullerene.01-gs.inp
| Value | Reference | Precision | Status |
| 4.001000000000000e+00 | 4.001000000000000e+00 | 2.000000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 6)