Input 14-fullerene_unpacked.02-td-unpacked.inp
Commits >
Commit 4ba99df89cd19114311b0fcb367f44d4f4e26fb8 >
Run intel_mpi_omp_autotools: [intel2022a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128291e+02 | -3.184216450128310e+02 | 1.570000000000000e-11 | 1.875832822406664e-12 | PASS |
| Energy [step 20] | -3.184094654954778e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | -8.526512829121202e-12 | PASS |
| Multipoles [step 0] | -1.206879343740211e-03 | -1.211520628226222e-03 | 8.480000000000000e-06 | 4.641284486011027e-06 | PASS |
| Multipoles [step 20] | -2.020306509511288e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 4.113612499523356e-07 | PASS |