Input 14-fullerene_unpacked.02-td-unpacked.inp
Commits >
Commit 70b0ad3565a7ed52254e6fb5a8a40b027abeb4a7 >
Run foss_cmake: [foss2023a-mpi, foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128270e+02 | -3.184216450128310e+02 | 1.570000000000000e-11 | 4.035882739117369e-12 | PASS |
| Energy [step 20] | -3.184094654954729e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | -3.637978807091713e-12 | PASS |
| Multipoles [step 0] | -1.207140354237093e-03 | -1.211520628226222e-03 | 8.480000000000000e-06 | 4.380273989128486e-06 | PASS |
| Multipoles [step 20] | -2.020306623451193e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 2.974213453299512e-07 | PASS |