Input 14-fullerene_unpacked.03-td-packed.inp
Commits >
Commit f8aeac8acec97cad57d0dc81a915c34dc5591a3a >
Run foss_cmake: [foss2023a-mpi, foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128318e+02 | -3.184216450128310e+02 | 1.570000000000000e-11 | -7.958078640513122e-13 | PASS |
| Energy [step 20] | -3.184094654954614e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | 7.901235221652314e-12 | PASS |
| Multipoles [step 0] | -1.208487553196816e-03 | -1.211520628226222e-03 | 9.480000000000001e-06 | 3.033075029406024e-06 | PASS |
| Multipoles [step 20] | -2.020307204432174e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | -2.835596362160686e-07 | PASS |