Match H2 Multipole y
Commits >
Commit 4ba99df89cd19114311b0fcb367f44d4f4e26fb8 >
Run foss-mpi-min: [foss2023a-mpi] >
Input 30-local_multipoles.02-multipoles.inp
Value | Reference | Precision | Status |
-3.942026147098391e-01 | -3.942026147098386e-01 | 3.940000000000000e-15 | PASS |
Command: LINEFIELD(local.general/multipoles/H2.multipoles, -1, 5)