Match H2 Multipole z
Commits >
Commit bb686499811dbfe67b92ca3aeb5b2659998636fa >
Run spack_foss-2022a_cuda_serial >
Input 30-local_multipoles.02-multipoles.inp
Value | Reference | Precision | Status |
3.942026147098413e-01 | 3.942026147098392e-01 | 3.940000000000000e-15 | PASS |
Command: LINEFIELD(local.general/multipoles/H2.multipoles, -1, 6)