Match H2 Multipole y
Commits >
Commit 917d830e9234ff154f8a96d6b6c157a89a03a450 >
Run foss_autotools: [foss2023b-serial] >
Input 30-local_multipoles.02-multipoles.inp
Value | Reference | Precision | Status |
-3.942026147098409e-01 | -3.942026147098386e-01 | 3.940000000000000e-15 | PASS |
Command: LINEFIELD(local.general/multipoles/H2.multipoles, -1, 5)