Input 14-fullerene_unpacked.03-td-packed.inp
Commits >
Commit 6dda27ed08cd9fd2b2f861e6109ead2bd6d3cd56 >
Run foss_cmake: [foss2023a-mpi, foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128280e+02 | -3.184216450128310e+02 | 8.130000000000000e-12 | 3.012701199622825e-12 | PASS |
| Energy [step 20] | -3.184094654954711e+02 | -3.184094654954693e+02 | 3.380000000000000e-11 | -1.762145984685048e-12 | PASS |
| Multipoles [step 0] | -1.207232960067320e-03 | -1.211520628226222e-03 | 9.480000000000001e-06 | 4.287668158902075e-06 | PASS |
| Multipoles [step 20] | -2.020306662178411e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 2.586941265647624e-07 | PASS |