Match H2 Multipole x
Commits >
Commit 705c4760eef009c58a165e8716adc8057257a566 >
Run foss-mpi-opt-full: [foss2023a-mpi] >
Input 30-local_multipoles.02-multipoles.inp
Value | Reference | Precision | Status |
-3.942026147098405e-01 | -3.942026147098388e-01 | 4.000000000000000e-15 | PASS |
Command: LINEFIELD(local.general/multipoles/H2.multipoles, -1, 4)