Match Partial charge 1
Commits >
Commit 995bec41f97239ed4859b75e5397558b96cd16ab >
Run cmake_foss_2022a_full_mpi >
Input 24-o2-spin.01-gs.inp
Value | Reference | Precision | Status |
6.000000000000000e+00 | 6.000000000000000e+00 | 1.000000000000000e-01 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 2)