Match Partial charge 2
Commits >
Commit 1f10c93c74388b17aea6526c581521be8cd6aa14 >
Run spack_intel-2023a_impi >
Input 16-scfinlcao_std.01-gs.inp
Value | Reference | Precision | Status |
9.320000000000001e-01 | 9.320000000000001e-01 | 4.660000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 3)