Input 14-fullerene_unpacked.03-td-packed.inp
Commits >
Commit f484e314acc228329e17ffb1f42ae4a074ecf8ad >
Run intel_mpi_autotools: [intel2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128263e+02 | -3.184216450128310e+02 | 1.570000000000000e-11 | 4.661160346586257e-12 | PASS |
| Energy [step 20] | -3.184094654954810e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | -1.165290086646564e-11 | PASS |
| Multipoles [step 0] | -1.206910904933536e-03 | -1.211520628226222e-03 | 9.480000000000001e-06 | 4.609723292685547e-06 | PASS |
| Multipoles [step 20] | -2.020306523316752e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 3.975557856250589e-07 | PASS |