Input 14-fullerene_unpacked.03-td-packed.inp
Commits >
Commit 584f61e8603689505e758f366f49c21c2e481def >
Run foss_cmake: [foss2023a-mpi, foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128285e+02 | -3.184216450128310e+02 | 1.570000000000000e-11 | 2.444267011014745e-12 | PASS |
| Energy [step 20] | -3.184094654954653e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | 3.979039320256561e-12 | PASS |
| Multipoles [step 0] | -1.207918672442784e-03 | -1.211520628226222e-03 | 9.480000000000001e-06 | 3.601955783437633e-06 | PASS |
| Multipoles [step 20] | -2.020306961432556e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | -4.056001845498258e-08 | PASS |