Match H2 Multipole y
Commits >
Commit 995bec41f97239ed4859b75e5397558b96cd16ab >
Run spack_foss-2023a_serial_omp >
Input 30-local_multipoles.02-multipoles.inp
Value | Reference | Precision | Status |
-3.942030529108309e-01 | -3.942030529108270e-01 | 1.970000000000000e-14 | PASS |
Command: LINEFIELD(local.general/multipoles/H2.multipoles, -1, 5)