Match Partial charge 1
Commits >
Commit 12c5144371d4b1b6f2306d5bbdf3ce56936365b0 >
Run intel-2022a_omp_impi >
Input 16-scfinlcao_std.01-gs.inp
Value | Reference | Precision | Status |
3.973000000000000e+00 | 3.973000000000000e+00 | 1.990000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 2)