Match Partial charge 5
Commits >
Commit c2137da3c7eed40c7b1d2dc83d2ec8c4c87fbf0f >
Run foss_mpi_opt_autotools: [foss2023a-mpi] >
Input 16-scfinlcao_std.01-gs.inp
Value | Reference | Precision | Status |
7.031000000000000e+00 | 7.032000000000000e+00 | 3.520000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 6)