Match H2 Multipole y
Commits >
Commit babc485c55a2119a415aa56305cb49f398154cb7 >
Run spack_intel-2022a_impi_omp >
Input 30-local_multipoles.02-multipoles.inp
Value | Reference | Precision | Status |
-3.942030529108323e-01 | -3.942030529108270e-01 | 1.970000000000000e-14 | PASS |
Command: LINEFIELD(local.general/multipoles/H2.multipoles, -1, 5)