Match H2 Multipole x
Commits >
Commit 4b6d45842a438d46c51308ffa6e74b875e60d9e9 >
Run foss-mpi-min: [foss2023a-mpi] >
Input 30-local_multipoles.02-multipoles.inp
Value | Reference | Precision | Status |
-3.942026147098401e-01 | -3.942026147098388e-01 | 4.000000000000000e-15 | PASS |
Command: LINEFIELD(local.general/multipoles/H2.multipoles, -1, 4)