Input 14-fullerene_unpacked.03-td-packed.inp
Commits >
Commit 2a1dc13191de3f3d16ec7491927e39f112456880 >
Run foss_cmake: [foss2022a-mpi, foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128289e+02 | -3.184216450128310e+02 | 1.570000000000000e-11 | 2.103206497849897e-12 | PASS |
| Energy [step 20] | -3.184094654954677e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | 1.648459146963432e-12 | PASS |
| Multipoles [step 0] | -1.207485694605021e-03 | -1.211520628226222e-03 | 9.480000000000001e-06 | 4.034933621201381e-06 | PASS |
| Multipoles [step 20] | -2.020306774168417e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 1.467041212954712e-07 | PASS |