Input 14-fullerene_unpacked.02-td-unpacked.inp
Commits >
Commit fb3b67f6830f0e047754886f078a46875acffbf8 >
Run foss-cmake-zen4: [foss2023a-mpi, ci-foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128313e+02 | -3.184216450128310e+02 | 1.570000000000000e-11 | -2.842170943040401e-13 | PASS |
| Energy [step 20] | -3.184094654954578e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | 1.153921402874403e-11 | PASS |
| Multipoles [step 0] | -1.208740591834304e-03 | -1.211520628226222e-03 | 8.480000000000000e-06 | 2.780036391918312e-06 | PASS |
| Multipoles [step 20] | -2.020307309558751e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | -3.886862129931501e-07 | PASS |