Match Partial charge 1
Commits >
Commit 0a318c45e56ef63f4af9f74d1cdee1be197bc18e >
Run foss-mpi-min: [foss2022a-mpi] >
Input 16-scfinlcao_std.01-gs.inp
Value | Reference | Precision | Status |
3.966000000000000e+00 | 3.973000000000000e+00 | 1.990000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 2)