Input 14-fullerene_unpacked.03-td-packed.inp
Commits >
Commit e321051bfbbb5a5d40cc69c07d513888d3b3fbd3 >
Run foss_mpi_debug_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128284e+02 | -3.184216450128310e+02 | 1.570000000000000e-11 | 2.557953848736361e-12 | PASS |
| Energy [step 20] | -3.184094654954773e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | -8.014922059373930e-12 | PASS |
| Multipoles [step 0] | -1.206889394521016e-03 | -1.211520628226222e-03 | 9.480000000000001e-06 | 4.631233705206178e-06 | PASS |
| Multipoles [step 20] | -2.020306513859530e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 4.070130077415968e-07 | PASS |