Input 14-fullerene_unpacked.03-td-packed.inp
Commits >
Commit 4ba8d1ba4a84cee910627f85cb1ba733d430c04d >
Run intel_mpi_autotools: [intel2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128373e+02 | -3.184216450128310e+02 | 1.570000000000000e-11 | -6.309619493549690e-12 | PASS |
| Energy [step 20] | -3.184094654954627e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | 6.650680006714538e-12 | PASS |
| Multipoles [step 0] | -1.208828148651586e-03 | -1.211520628226222e-03 | 9.480000000000001e-06 | 2.692479574635748e-06 | PASS |
| Multipoles [step 20] | -2.020307340886209e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | -4.200136709542335e-07 | PASS |