Input 14-fullerene_unpacked.03-td-packed.inp
Commits >
Commit b1773e3237a9e3fe1d68ecd7146c17ebbd95a961 >
Run GCI_foss_mpi_debug_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128275e+02 | -3.184216450128310e+02 | 6.500000000000000e-12 | 3.524291969370097e-12 | PASS |
| Energy [step 20] | -3.184094654954741e+02 | -3.184094654954693e+02 | 1.330000000000000e-11 | -4.831690603168681e-12 | PASS |
| Multipoles [step 0] | -1.207059168568420e-03 | -1.211520628226222e-03 | 9.480000000000001e-06 | 4.461459657802364e-06 | PASS |
| Multipoles [step 20] | -2.020306588058074e+00 | -2.020306920872538e+00 | 6.190000000000000e-07 | 3.328144644321185e-07 | PASS |