Input 14-fullerene_unpacked.02-td-unpacked.inp
Commits >
Commit db5a37a45dcf968be97880dd1f5766f32ce63f3a >
Run foss_cmake: [foss2023a-mpi, foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128261e+02 | -3.184216450128310e+02 | 1.570000000000000e-11 | 4.888534022029489e-12 | PASS |
| Energy [step 20] | -3.184094654954766e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | -7.332801033044234e-12 | PASS |
| Multipoles [step 0] | -1.206923742394575e-03 | -1.211520628226222e-03 | 8.480000000000000e-06 | 4.596885831646908e-06 | PASS |
| Multipoles [step 20] | -2.020306528782057e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 3.920904805276848e-07 | PASS |