Match Partial charge 2
Commits >
Commit 61d12a07bb2f18211cbe349e5d87c7e10e0bf297 >
Run intel_omp_autotools: [intel2023a-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)