Input 14-fullerene_unpacked.02-td-unpacked.inp
Commits >
Commit 9972eae3cc35bad71f44bb929051f5e204f853a2 >
Run intel_mpi_autotools: [intel2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128316e+02 | -3.184216450128310e+02 | 1.570000000000000e-11 | -5.684341886080801e-13 | PASS |
| Energy [step 20] | -3.184094654954780e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | -8.697043085703626e-12 | PASS |
| Multipoles [step 0] | -1.206833659376391e-03 | -1.211520628226222e-03 | 8.480000000000000e-06 | 4.686968849830714e-06 | PASS |
| Multipoles [step 20] | -2.020306489817786e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 4.310547523367347e-07 | PASS |