Match Partial charge 3
Commits >
Commit 04b2a32c6063188a192f0d4e38b2e2adad504be9 >
Run eb_foss-2022b_libxc6 >
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)