Input 14-fullerene_unpacked.03-td-packed.inp
Commits >
Commit f22bb0bcca4b53614d336c5e83de089ff68b1baa >
Run intel_mpi_omp_autotools: [intel2022a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128291e+02 | -3.184216450128310e+02 | 1.570000000000000e-11 | 1.875832822406664e-12 | PASS |
| Energy [step 20] | -3.184094654954819e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | -1.256239556823857e-11 | PASS |
| Multipoles [step 0] | -1.206802713676125e-03 | -1.211520628226222e-03 | 9.480000000000001e-06 | 4.717914550096897e-06 | PASS |
| Multipoles [step 20] | -2.020306476028746e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 4.448437920245851e-07 | PASS |