Input 14-fullerene_unpacked.02-td-unpacked.inp
Commits >
Commit 16a288d93f4684890591c6dab8ffeadb82c84e9a >
Run foss_cmake: [foss2022a-mpi, foss-min-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128300e+02 | -3.184216450128310e+02 | 8.130000000000000e-12 | 1.023181539494544e-12 | PASS |
| Energy [step 20] | -3.184094654954712e+02 | -3.184094654954693e+02 | 3.380000000000000e-11 | -1.875832822406664e-12 | PASS |
| Multipoles [step 0] | -1.207276179185063e-03 | -1.211520628226222e-03 | 8.480000000000000e-06 | 4.244449041159110e-06 | PASS |
| Multipoles [step 20] | -2.020306683060572e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 2.378119661194944e-07 | PASS |