Input 14-fullerene_unpacked.02-td-unpacked.inp
Commits >
Commit f72050fe95608e153e1887ef05d1ad42dc082fde >
Run foss_cmake: [foss2023a-mpi, foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128295e+02 | -3.184216450128310e+02 | 1.570000000000000e-11 | 1.477928890381008e-12 | PASS |
| Energy [step 20] | -3.184094654954674e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | 1.875832822406664e-12 | PASS |
| Multipoles [step 0] | -1.207658689984487e-03 | -1.211520628226222e-03 | 8.480000000000000e-06 | 3.861938241735358e-06 | PASS |
| Multipoles [step 20] | -2.020306849191469e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 7.168106908039817e-08 | PASS |