Match Partial charge 4
Commits >
Commit b6caf805fea115365f1246dd8a44b3bc3b7dd03a >
Run spack_foss-2022a_mpi_debug >
Input 16-scfinlcao_std.01-gs.inp
Value | Reference | Precision | Status |
7.032000000000000e+00 | 7.032000000000000e+00 | 3.520000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 5)