Match Partial charge 5
Commits >
Commit 69bdc22e524ab1df7701119670aff9b913714e90 >
Run foss_cuda_autotools: [foss2022a-cuda-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, 6)