Match H2 Multipole z
Commits >
Commit e321051bfbbb5a5d40cc69c07d513888d3b3fbd3 >
Run foss-mpi-full: [foss2023a-mpi] >
Input 30-local_multipoles.02-multipoles.inp
Value | Reference | Precision | Status |
3.942026147098409e-01 | 3.942026147098392e-01 | 3.940000000000000e-15 | PASS |
Command: LINEFIELD(local.general/multipoles/H2.multipoles, -1, 6)