Match Partial charge 3
Commits >
Commit 97b4f3224f9be7c1ae7006b6639b45be6cefbdcd >
Run spack_foss-2023a_serial_debug >
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)