Input 14-fullerene_unpacked.03-td-packed.inp
Commits >
Commit 3c5618978387ff506850febf67c434621a2adfa2 >
Run foss_cmake: [foss2022a-mpi, foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128268e+02 | -3.184216450128310e+02 | 1.570000000000000e-11 | 4.206412995699793e-12 | PASS |
| Energy [step 20] | -3.184094654954786e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | -9.265477274311706e-12 | PASS |
| Multipoles [step 0] | -1.206924056632419e-03 | -1.211520628226222e-03 | 9.480000000000001e-06 | 4.596571593802829e-06 | PASS |
| Multipoles [step 20] | -2.020306528854436e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 3.920181015359958e-07 | PASS |