Input 14-fullerene_unpacked.03-td-packed.inp
Commits >
Commit e4c059220ca1a60f4b3fbcd10e5162435e5fcc26 >
Run intel_mpi_omp_autotools: [intel2022a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128259e+02 | -3.184216450128310e+02 | 1.570000000000000e-11 | 5.059064278611913e-12 | PASS |
| Energy [step 20] | -3.184094654954772e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | -7.901235221652314e-12 | PASS |
| Multipoles [step 0] | -1.206886522533326e-03 | -1.211520628226222e-03 | 9.480000000000001e-06 | 4.634105692895513e-06 | PASS |
| Multipoles [step 20] | -2.020306512612417e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 4.082601208210690e-07 | PASS |