Input 14-fullerene_unpacked.03-td-packed.inp
Commits >
Commit fe1e2fbde8e2f64defe360a8f89092b8d1773e8d >
Run intel_mpi_autotools: [intel2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128303e+02 | -3.184216450128310e+02 | 1.570000000000000e-11 | 6.821210263296962e-13 | PASS |
| Energy [step 20] | -3.184094654954758e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | -6.536993168992922e-12 | PASS |
| Multipoles [step 0] | -1.206938872263974e-03 | -1.211520628226222e-03 | 9.480000000000001e-06 | 4.581755962247908e-06 | PASS |
| Multipoles [step 20] | -2.020306535402144e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 3.854703942707260e-07 | PASS |