Input 14-fullerene_unpacked.02-td-unpacked.inp
Commits >
Commit 9972eae3cc35bad71f44bb929051f5e204f853a2 >
Run foss_cmake: [foss2023a-mpi, foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128253e+02 | -3.184216450128310e+02 | 1.570000000000000e-11 | 5.741185304941610e-12 | PASS |
| Energy [step 20] | -3.184094654954782e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | -8.867573342286050e-12 | PASS |
| Multipoles [step 0] | -1.206842815982198e-03 | -1.211520628226222e-03 | 8.480000000000000e-06 | 4.677812244023799e-06 | PASS |
| Multipoles [step 20] | -2.020306493599780e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 4.272727580634239e-07 | PASS |