Match Multipoles [step 20]
Commits >
Commit b6caf805fea115365f1246dd8a44b3bc3b7dd03a >
Run spack_foss-2022a_mpi_opt >
Input 14-fullerene_unpacked.02-td-unpacked.inp
Value | Reference | Precision | Status |
-2.020313267232988e+00 | -2.020315146839614e+00 | 5.140000000000000e-06 | PASS |
Command: LINEFIELD(td.general/multipoles, -1, 4)