Match Partial charge 4
Commits >
Commit b21946569e0fd76bd0c736308c1aade8f51fa7e4 >
Run cuda-serial: [foss2022a-cuda-mpi] >
Input 20-eigensolver.05-rmmdiis.inp
| Value | Reference | Precision | Status |
| 9.610000000000000e-01 | 9.610000000000000e-01 | 4.810000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 5)