Input 14-fullerene_unpacked.02-td-unpacked.inp
Commits >
Commit 368be28936f76d73ed8ffdbffb2589aae6837ea5 >
Run intel_mpi_autotools: [intel2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128307e+02 | -3.184216450128310e+02 | 1.570000000000000e-11 | 3.410605131648481e-13 | PASS |
| Energy [step 20] | -3.184094654954741e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | -4.831690603168681e-12 | PASS |
| Multipoles [step 0] | -1.206976363188630e-03 | -1.211520628226222e-03 | 8.480000000000000e-06 | 4.544265037591472e-06 | PASS |
| Multipoles [step 20] | -2.020306550890573e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 3.699819650648806e-07 | PASS |