Match Partial charge 1
Commits >
Commit fb3b67f6830f0e047754886f078a46875acffbf8 >
Run intel_omp_autotools: [intel2022a-serial] >
Input 20-eigensolver.05-rmmdiis.inp
| Value | Reference | Precision | Status |
| 4.157000000000000e+00 | 4.157000000000000e+00 | 2.080000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 2)