Input 14-fullerene_unpacked.03-td-packed.inp
Commits >
Commit eddb1a976bbe1f1b2f6bb64793dd776e6572a2b5 >
Run foss_cmake: [foss2022a-mpi, foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128277e+02 | -3.184216450128310e+02 | 1.570000000000000e-11 | 3.296918293926865e-12 | PASS |
| Energy [step 20] | -3.184094654954761e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | -6.764366844436154e-12 | PASS |
| Multipoles [step 0] | -1.206951680139956e-03 | -1.211520628226222e-03 | 9.480000000000001e-06 | 4.568948086265895e-06 | PASS |
| Multipoles [step 20] | -2.020306540860064e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 3.800124743769118e-07 | PASS |