Input 14-fullerene_unpacked.03-td-packed.inp
Commits >
Commit 584f61e8603689505e758f366f49c21c2e481def >
Run foss_cmake: [foss2022a-mpi, foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128282e+02 | -3.184216450128310e+02 | 1.570000000000000e-11 | 2.785327524179593e-12 | PASS |
| Energy [step 20] | -3.184094654954799e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | -1.057287590811029e-11 | PASS |
| Multipoles [step 0] | -1.206801823660772e-03 | -1.211520628226222e-03 | 9.480000000000001e-06 | 4.718804565449980e-06 | PASS |
| Multipoles [step 20] | -2.020306475909044e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 4.449634936065650e-07 | PASS |