Input 14-fullerene_unpacked.03-td-packed.inp
Commits >
Commit 98d0ca144537205e7b2aa0b44074de55ddb8c97d >
Run foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128284e+02 | -3.184216450128310e+02 | 1.570000000000000e-11 | 2.557953848736361e-12 | PASS |
| Energy [step 20] | -3.184094654954758e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | -6.536993168992922e-12 | PASS |
| Multipoles [step 0] | -1.207137512179934e-03 | -1.211520628226222e-03 | 9.480000000000001e-06 | 4.383116046287544e-06 | PASS |
| Multipoles [step 20] | -2.020306622213333e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 2.986592053666470e-07 | PASS |