Input 14-fullerene_unpacked.02-td-unpacked.inp
Commits >
Commit c2137da3c7eed40c7b1d2dc83d2ec8c4c87fbf0f >
Run foss_cmake: [foss2022a-mpi, foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128309e+02 | -3.184216450128310e+02 | 1.570000000000000e-11 | 5.684341886080801e-14 | PASS |
| Energy [step 20] | -3.184094654954743e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | -5.002220859751105e-12 | PASS |
| Multipoles [step 0] | -1.207128849849928e-03 | -1.211520628226222e-03 | 8.480000000000000e-06 | 4.391778376293615e-06 | PASS |
| Multipoles [step 20] | -2.020306618595128e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 3.022774102134917e-07 | PASS |