Input 14-fullerene_unpacked.02-td-unpacked.inp
Commits >
Commit 0c0a0ff03fa1c9b5e42984c9b7f40a807c9ec9b7 >
Run foss_mpi_opt_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128293e+02 | -3.184216450128310e+02 | 8.130000000000000e-12 | 1.648459146963432e-12 | PASS |
| Energy [step 20] | -3.184094654954680e+02 | -3.184094654954693e+02 | 3.380000000000000e-11 | 1.307398633798584e-12 | PASS |
| Multipoles [step 0] | -1.207349870945951e-03 | -1.211520628226222e-03 | 8.480000000000000e-06 | 4.170757280271215e-06 | PASS |
| Multipoles [step 20] | -2.020306715052026e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 2.058205117450029e-07 | PASS |