Match H2 Multipole x
Commits >
Commit b5086f89e5ba3598cb2c5ef57ca1b3f99761e498 >
Run foss-mpi-omp-full: [foss2023a-mpi] >
Input 30-local_multipoles.02-multipoles.inp
Value | Reference | Precision | Status |
-3.942026147098397e-01 | -3.942026147098388e-01 | 4.000000000000000e-15 | PASS |
Command: LINEFIELD(local.general/multipoles/H2.multipoles, -1, 4)