Input 14-fullerene_unpacked.02-td-unpacked.inp
Commits >
Commit b1773e3237a9e3fe1d68ecd7146c17ebbd95a961 >
Run GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128298e+02 | -3.184216450128310e+02 | 6.500000000000000e-12 | 1.193711796076968e-12 | PASS |
| Energy [step 20] | -3.184094654954720e+02 | -3.184094654954693e+02 | 1.330000000000000e-11 | -2.728484105318785e-12 | PASS |
| Multipoles [step 0] | -1.207198926549816e-03 | -1.211520628226222e-03 | 8.480000000000000e-06 | 4.321701676406270e-06 | PASS |
| Multipoles [step 20] | -2.020306649278182e+00 | -2.020306920872538e+00 | 6.190000000000000e-07 | 2.715943554498779e-07 | PASS |