Match Multipoles [step 20]
Commits >
Commit 648faf2c6f79684bb4504aeb1ba8c9cb14e3b2f7 >
Run spack_foss-2022a_cuda_mpi_omp >
Input 14-fullerene_unpacked.02-td-unpacked.inp
Value | Reference | Precision | Status |
-2.020313268644067e+00 | -2.020315146839614e+00 | 5.140000000000000e-06 | PASS |
Command: LINEFIELD(td.general/multipoles, -1, 4)