Input 14-fullerene_unpacked.03-td-packed.inp
Commits >
Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e >
Run intel_mpi_omp_autotools: [intel2022a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128296e+02 | -3.184216450128310e+02 | 8.130000000000000e-12 | 1.421085471520200e-12 | PASS |
| Energy [step 20] | -3.184094654954788e+02 | -3.184094654954693e+02 | 3.380000000000000e-11 | -9.492850949754938e-12 | PASS |
| Multipoles [step 0] | -1.206812082931580e-03 | -1.211520628226222e-03 | 9.480000000000001e-06 | 4.708545294642092e-06 | PASS |
| Multipoles [step 20] | -2.020306480106311e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 4.407662270722312e-07 | PASS |