Input 14-fullerene_unpacked.02-td-unpacked.inp
Commits >
Commit c1843387c3c25bf42356cee40f04165a0aff5f6f >
Run foss-cmake-zen4: [foss2023a-mpi, ci-foss-min-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128284e+02 | -3.184216450128310e+02 | 1.570000000000000e-11 | 2.557953848736361e-12 | PASS |
| Energy [step 20] | -3.184094654954803e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | -1.102762325899675e-11 | PASS |
| Multipoles [step 0] | -1.206861641625742e-03 | -1.211520628226222e-03 | 8.480000000000000e-06 | 4.658986600479748e-06 | PASS |
| Multipoles [step 20] | -2.020306501748593e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 4.191239444395478e-07 | PASS |