Match Partial charge 2
Commits >
Commit 15b914f6cf8a906b04634cf1151edac44a3f54fa >
Run spack_foss-2022a_cuda_mpi_omp >
Input 16-scfinlcao_std.01-gs.inp
Value | Reference | Precision | Status |
9.320000000000001e-01 | 9.320000000000001e-01 | 4.660000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 3)