Match Partial charge 2
Commits >
Commit 85779d3dd9ec6e18544835020e079bae8c405b87 >
Run spack_foss-2022a_serial >
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)