Input 14-fullerene_unpacked.03-td-packed.inp
Commits >
Commit 61d12a07bb2f18211cbe349e5d87c7e10e0bf297 >
Run foss_cmake: [foss2022a-mpi, foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128270e+02 | -3.184216450128310e+02 | 1.570000000000000e-11 | 3.979039320256561e-12 | PASS |
| Energy [step 20] | -3.184094654954729e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | -3.581135388230905e-12 | PASS |
| Multipoles [step 0] | -1.207269740516922e-03 | -1.211520628226222e-03 | 9.480000000000001e-06 | 4.250887709299428e-06 | PASS |
| Multipoles [step 20] | -2.020306680549451e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 2.403230867642492e-07 | PASS |