Input 14-fullerene_unpacked.02-td-unpacked.inp
Commits >
Commit 3874475d54e6d4931162c1a62f5667add8f8f561 >
Run foss_cmake: [foss2023a-mpi, foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128270e+02 | -3.184216450128310e+02 | 8.130000000000000e-12 | 4.035882739117369e-12 | PASS |
| Energy [step 20] | -3.184094654954785e+02 | -3.184094654954693e+02 | 3.380000000000000e-11 | -9.208633855450898e-12 | PASS |
| Multipoles [step 0] | -1.206858552957768e-03 | -1.211520628226222e-03 | 8.480000000000000e-06 | 4.662075268453908e-06 | PASS |
| Multipoles [step 20] | -2.020306500499276e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 4.203732615337685e-07 | PASS |