Input 14-fullerene_unpacked.03-td-packed.inp
Commits >
Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc >
Run foss-parallel-debug: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128295e+02 | -3.184216450128310e+02 | 8.130000000000000e-12 | 1.534772309241816e-12 | PASS |
| Energy [step 20] | -3.184094654954712e+02 | -3.184094654954693e+02 | 3.380000000000000e-11 | -1.875832822406664e-12 | PASS |
| Multipoles [step 0] | -1.207338690456403e-03 | -1.211520628226222e-03 | 9.480000000000001e-06 | 4.181937769819283e-06 | PASS |
| Multipoles [step 20] | -2.020306710336937e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 2.105356009529658e-07 | PASS |