Match Partial charge 4
Commits >
Commit ab5faecb27d88076e64ba8608dc3fc5641398a04 >
Run foss_cmake: [foss2022a-mpi, foss-min-mpi] >
Input 16-scfinlcao_std.01-gs.inp
Value | Reference | Precision | Status |
7.031000000000000e+00 | 7.032000000000000e+00 | 3.520000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 5)