Match Partial charge 3
Commits >
Commit 68887e7ef149674fa38f143e8d88a44249e6d867 >
Run cuda-serial: [foss2022a-cuda-mpi] >
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)