Match Multipoles [step 20]
Commits >
Commit eddb1a976bbe1f1b2f6bb64793dd776e6572a2b5 >
Run cuda-mpi-omp: [foss2022a-cuda-mpi] >
Input 14-fullerene_unpacked.03-td-packed.inp
Value | Reference | Precision | Status |
-2.020306565923726e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | PASS |
Command: LINEFIELD(td.general/multipoles, -1, 4)