Match Partial charge 4
Commits >
Commit 3874475d54e6d4931162c1a62f5667add8f8f561 >
Run foss_mpi_min_autotools: [foss2023a-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)