Input 14-fullerene_unpacked.02-td-unpacked.inp
Commits >
Commit a207e10cd726e9ee7bae9ea565d18a80e5fdcb20 >
Run foss_cmake: [foss2022a-mpi, foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128271e+02 | -3.184216450128310e+02 | 1.570000000000000e-11 | 3.922195901395753e-12 | PASS |
| Energy [step 20] | -3.184094654954744e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | -5.059064278611913e-12 | PASS |
| Multipoles [step 0] | -1.207136680980408e-03 | -1.211520628226222e-03 | 8.480000000000000e-06 | 4.383947245813419e-06 | PASS |
| Multipoles [step 20] | -2.020306621859557e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 2.990129810420683e-07 | PASS |