Match Partial charge 2
Commits >
Commit fb3b67f6830f0e047754886f078a46875acffbf8 >
Run foss-serial-min: [foss2022a-serial] >
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)