Match Partial charge 1
Commits >
Commit e4c059220ca1a60f4b3fbcd10e5162435e5fcc26 >
Run cuda-mpi-omp: [foss2022a-cuda-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)