Input 14-fullerene_unpacked.03-td-packed.inp
Commits >
Commit 008ad309696fa333cadd72656d8ad6622d802226 >
Run foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128281e+02 | -3.184216450128310e+02 | 1.570000000000000e-11 | 2.899014361901209e-12 | PASS |
| Energy [step 20] | -3.184094654954778e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | -8.526512829121202e-12 | PASS |
| Multipoles [step 0] | -1.206891481205882e-03 | -1.211520628226222e-03 | 9.480000000000001e-06 | 4.629147020339614e-06 | PASS |
| Multipoles [step 20] | -2.020306514771373e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 4.061011651401714e-07 | PASS |