Input 14-fullerene_unpacked.03-td-packed.inp
Commits >
Commit 45adf9b0e5ec0c590d65885bc40efffc0d377767 >
Run intel_mpi_omp_autotools: [intel2022a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128305e+02 | -3.184216450128310e+02 | 1.570000000000000e-11 | 5.115907697472721e-13 | PASS |
| Energy [step 20] | -3.184094654954651e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | 4.206412995699793e-12 | PASS |
| Multipoles [step 0] | -1.207803934998683e-03 | -1.211520628226222e-03 | 9.480000000000001e-06 | 3.716693227538920e-06 | PASS |
| Multipoles [step 20] | -2.020306911966047e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 8.906491100191261e-09 | PASS |