Input 14-fullerene_unpacked.02-td-unpacked.inp
Commits >
Commit efc44ae2259e56922145db535c825ce53e4127cb >
Run intel_mpi_autotools: [intel2023a-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] | -3.184094654954805e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | -1.119815351557918e-11 | PASS |
| Multipoles [step 0] | -1.206889493816560e-03 | -1.211520628226222e-03 | 8.480000000000000e-06 | 4.631134409662169e-06 | PASS |
| Multipoles [step 20] | -2.020306513900902e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 4.069716359467179e-07 | PASS |