Input 14-fullerene_unpacked.02-td-unpacked.inp
Commits >
Commit 81aaf54c0a876807db604366b921af6af05ee8c1 >
Run foss_cmake: [foss2023a-mpi, foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128290e+02 | -3.184216450128310e+02 | 1.570000000000000e-11 | 1.989519660128281e-12 | PASS |
| Energy [step 20] | -3.184094654954739e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | -4.604316927725449e-12 | PASS |
| Multipoles [step 0] | -1.207143073602007e-03 | -1.211520628226222e-03 | 8.480000000000000e-06 | 4.377554624214680e-06 | PASS |
| Multipoles [step 20] | -2.020306624824474e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 2.960480638414253e-07 | PASS |