Input 14-fullerene_unpacked.03-td-packed.inp
Commits >
Commit 32c00845502bbc3ac64555e3c727792a7ab72a6a >
Run GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128295e+02 | -3.184216450128310e+02 | 6.500000000000000e-12 | 1.534772309241816e-12 | PASS |
| Energy [step 20] | -3.184094654954783e+02 | -3.184094654954693e+02 | 1.330000000000000e-11 | -9.038103598868474e-12 | PASS |
| Multipoles [step 0] | -1.207016807163036e-03 | -1.211520628226222e-03 | 9.480000000000001e-06 | 4.503821063185859e-06 | PASS |
| Multipoles [step 20] | -2.020306569335407e+00 | -2.020306920872538e+00 | 6.190000000000000e-07 | 3.515371309603665e-07 | PASS |