Match Partial charge 2
Commits >
Commit b6caf805fea115365f1246dd8a44b3bc3b7dd03a >
Run spack_intel-2023a_impi >
Input 30-local_multipoles.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)