Input 14-fullerene_unpacked.02-td-unpacked.inp
Commits >
Commit 91746b7e50d5ea0025b393f8233f16beebc5d069 >
Run foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128293e+02 | -3.184216450128310e+02 | 1.570000000000000e-11 | 1.648459146963432e-12 | PASS |
| Energy [step 20] | -3.184094654954733e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | -4.035882739117369e-12 | PASS |
| Multipoles [step 0] | -1.207259128540264e-03 | -1.211520628226222e-03 | 8.480000000000000e-06 | 4.261499685957954e-06 | PASS |
| Multipoles [step 20] | -2.020306675422655e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 2.454498826409690e-07 | PASS |