Match H2 Multipole y
Commits >
Commit dbbd967b788cdda4a2df74a46ac2e5066a09d99b >
Run foss-serial-debug: [foss2023a-serial] >
Input 30-local_multipoles.02-multipoles.inp
Value | Reference | Precision | Status |
-3.942026147098397e-01 | -3.942026147098386e-01 | 3.940000000000000e-15 | PASS |
Command: LINEFIELD(local.general/multipoles/H2.multipoles, -1, 5)