Input 14-fullerene_unpacked.03-td-packed.inp
Commits >
Commit cbea69fbf625d621b43d7bf990e8d9b27d6c495d >
Run GCI_intel_mpi_autotools: [intel2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128372e+02 | -3.184216450128310e+02 | 6.500000000000000e-12 | -6.252776074688882e-12 | PASS |
| Energy [step 20] | -3.184094654954647e+02 | -3.184094654954693e+02 | 1.330000000000000e-11 | 4.604316927725449e-12 | PASS |
| Multipoles [step 0] | -1.208773281368147e-03 | -1.211520628226222e-03 | 9.480000000000001e-06 | 2.747346858074590e-06 | PASS |
| Multipoles [step 20] | -2.020307312412706e+00 | -2.020306920872538e+00 | 6.190000000000000e-07 | -3.915401682874631e-07 | PASS |