Match Partial charge 3
Commits >
Commit 85779d3dd9ec6e18544835020e079bae8c405b87 >
Run spack_foss-2023a_serial_opt >
Input 17-scfinlcao_alt.01-gs.inp
Value | Reference | Precision | Status |
7.023000000000000e+00 | 7.023000000000001e+00 | 3.510000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 4)