Input 14-fullerene_unpacked.03-td-packed.inp
Commits >
Commit 224605379ecf56495eac19edf712806ff1f57d89 >
Run intel_mpi_autotools: [intel2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128308e+02 | -3.184216450128310e+02 | 1.570000000000000e-11 | 1.705302565824240e-13 | PASS |
| Energy [step 20] | -3.184094654954744e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | -5.059064278611913e-12 | PASS |
| Multipoles [step 0] | -1.207182659465011e-03 | -1.211520628226222e-03 | 9.480000000000001e-06 | 4.337968761210448e-06 | PASS |
| Multipoles [step 20] | -2.020306642156273e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 2.787162651785025e-07 | PASS |