Match H2 Multipole x
Commits >
Commit 8520a932a983b5c1584256e5aef0dad9a7dbc2f2 >
Run spack_foss-2022a_serial_debug >
Input 30-local_multipoles.02-multipoles.inp
Value | Reference | Precision | Status |
-3.942030529108320e-01 | -3.942030529108270e-01 | 1.970000000000000e-14 | PASS |
Command: LINEFIELD(local.general/multipoles/H2.multipoles, -1, 4)