Input 14-fullerene_unpacked.02-td-unpacked.inp
Commits >
Commit 0a2b0bf36feedeffb58bf70ad5882092a0f43b8a >
Run foss_cmake: [foss2022a-mpi, foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128361e+02 | -3.184216450128310e+02 | 1.570000000000000e-11 | -5.059064278611913e-12 | PASS |
| Energy [step 20] | -3.184094654954648e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | 4.547473508864641e-12 | PASS |
| Multipoles [step 0] | -1.208899030001778e-03 | -1.211520628226222e-03 | 8.480000000000000e-06 | 2.621598224443683e-06 | PASS |
| Multipoles [step 20] | -2.020307365921452e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | -4.450489137219904e-07 | PASS |