Input 14-fullerene_unpacked.03-td-packed.inp
Commits >
Commit a52301560213e3c8fdab44f55dc98126fab73840 >
Run GCI_intel_mpi_autotools: [intel2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128300e+02 | -3.184216450128310e+02 | 6.500000000000000e-12 | 9.663381206337363e-13 | PASS |
| Energy [step 20] | -3.184094654954720e+02 | -3.184094654954693e+02 | 1.330000000000000e-11 | -2.671640686457977e-12 | PASS |
| Multipoles [step 0] | -1.207650915903774e-03 | -1.211520628226222e-03 | 9.480000000000001e-06 | 3.869712322447866e-06 | PASS |
| Multipoles [step 20] | -2.020306846232160e+00 | -2.020306920872538e+00 | 6.190000000000000e-07 | 7.464037832249915e-08 | PASS |