Match Multipoles [step 20]
Commits >
Commit 368be28936f76d73ed8ffdbffb2589aae6837ea5 >
Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] >
Input 14-fullerene_unpacked.02-td-unpacked.inp
Value | Reference | Precision | Status |
-2.020306709996675e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | PASS |
Command: LINEFIELD(td.general/multipoles, -1, 4)