Match Partial charge 2
Commits >
Commit adf3952efd5c2bdc0cc9389163d26498c92cbe64 >
Run foss_cmake: [foss2023a-mpi, foss-min-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, 3)