Match Partial charge 2
Commits >
Commit ab5faecb27d88076e64ba8608dc3fc5641398a04 >
Run intel_omp_autotools: [intel2023a-serial] >
Input 16-scfinlcao_std.01-gs.inp
Value | Reference | Precision | Status |
9.389999999999999e-01 | 9.320000000000001e-01 | 4.660000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 3)