Input 14-fullerene_unpacked.03-td-packed.inp
Commits >
Commit c9606f298ccf4e57d14167459d26815f7508aa3e >
Run intel_mpi_autotools: [intel2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128304e+02 | -3.184216450128310e+02 | 1.570000000000000e-11 | 6.252776074688882e-13 | PASS |
| Energy [step 20] | -3.184094654954747e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | -5.400124791776761e-12 | PASS |
| Multipoles [step 0] | -1.207031367899028e-03 | -1.211520628226222e-03 | 9.480000000000001e-06 | 4.489260327193928e-06 | PASS |
| Multipoles [step 20] | -2.020306575709932e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 3.451626060524404e-07 | PASS |