Input 14-fullerene_unpacked.02-td-unpacked.inp
Commits >
Commit b21946569e0fd76bd0c736308c1aade8f51fa7e4 >
Run foss_cmake: [foss2023a-mpi, foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128275e+02 | -3.184216450128310e+02 | 1.570000000000000e-11 | 3.467448550509289e-12 | PASS |
| Energy [step 20] | -3.184094654954766e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | -7.332801033044234e-12 | PASS |
| Multipoles [step 0] | -1.206865476171215e-03 | -1.211520628226222e-03 | 8.480000000000000e-06 | 4.655152055006934e-06 | PASS |
| Multipoles [step 20] | -2.020306503503773e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 4.173687644382085e-07 | PASS |