Match Partial charge 3
Commits >
Commit 3186a8a51be7ad5a27ccff6e8e2901df0a16a559 >
Run spack_foss-2022a_cuda_serial >
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)