Input 14-fullerene_unpacked.03-td-packed.inp
Commits >
Commit 3c86545dbb6a164adc7b03c9886fea0d0acfc59e >
Run GCI_foss_mpi_debug_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128326e+02 | -3.184216450128310e+02 | 6.500000000000000e-12 | -1.591615728102624e-12 | PASS |
| Energy [step 20] | -3.184094654954588e+02 | -3.184094654954693e+02 | 1.330000000000000e-11 | 1.051603248924948e-11 | PASS |
| Multipoles [step 0] | -1.208731527219106e-03 | -1.211520628226222e-03 | 9.480000000000001e-06 | 2.789101007115652e-06 | PASS |
| Multipoles [step 20] | -2.020307305832843e+00 | -2.020306920872538e+00 | 6.190000000000000e-07 | -3.849603049665973e-07 | PASS |