Input 14-fullerene_unpacked.03-td-packed.inp
Commits >
Commit dbbd967b788cdda4a2df74a46ac2e5066a09d99b >
Run foss_cmake: [foss2023a-mpi, foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128299e+02 | -3.184216450128310e+02 | 1.570000000000000e-11 | 1.080024958355352e-12 | PASS |
| Energy [step 20] | -3.184094654954750e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | -5.741185304941610e-12 | PASS |
| Multipoles [step 0] | -1.206928752371356e-03 | -1.211520628226222e-03 | 9.480000000000001e-06 | 4.591875854866251e-06 | PASS |
| Multipoles [step 20] | -2.020306530974164e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 3.898983740313611e-07 | PASS |