Input 14-fullerene_unpacked.02-td-unpacked.inp
Commits >
Commit e09e54217c6ccfa05cd54e62fc481dbeeea35df8 >
Run foss_cmake: [foss2022a-mpi, foss-min-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128306e+02 | -3.184216450128310e+02 | 1.570000000000000e-11 | 3.979039320256561e-13 | PASS |
| Energy [step 20] | -3.184094654954672e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | 2.103206497849897e-12 | PASS |
| Multipoles [step 0] | -1.207643057534666e-03 | -1.211520628226222e-03 | 8.480000000000000e-06 | 3.877570691556082e-06 | PASS |
| Multipoles [step 20] | -2.020306842576189e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 7.829634851574951e-08 | PASS |