Input 14-fullerene_unpacked.03-td-packed.inp
Commits >
Commit 3d047708c1ab8d71894fb240c9b3cff2ecebd198 >
Run intel_mpi_autotools: [intel2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128345e+02 | -3.184216450128310e+02 | 1.570000000000000e-11 | -3.524291969370097e-12 | PASS |
| Energy [step 20] | -3.184094654954613e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | 8.014922059373930e-12 | PASS |
| Multipoles [step 0] | -1.208749944339005e-03 | -1.211520628226222e-03 | 9.480000000000001e-06 | 2.770683887217068e-06 | PASS |
| Multipoles [step 20] | -2.020307313619746e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | -3.927472080889061e-07 | PASS |