Match H2 Multipole z
Commits >
Commit 0043f87fd1086e2efddabd576c31b5184d964264 >
Run spack_foss-2022a_cuda_serial >
Input 30-local_multipoles.02-multipoles.inp
| Value | Reference | Precision | Status |
| 3.942030529108297e-01 | 3.942030529108260e-01 | 1.970000000000000e-14 | PASS |
Command: LINEFIELD(local.general/multipoles/H2.multipoles, -1, 6)