Input 14-fullerene_unpacked.02-td-unpacked.inp
Commits >
Commit 4b6d45842a438d46c51308ffa6e74b875e60d9e9 >
Run foss_mpi_opt_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128274e+02 | -3.184216450128310e+02 | 1.570000000000000e-11 | 3.581135388230905e-12 | PASS |
| Energy [step 20] | -3.184094654954774e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | -8.128608897095546e-12 | PASS |
| Multipoles [step 0] | -1.206893738321474e-03 | -1.211520628226222e-03 | 8.480000000000000e-06 | 4.626889904747961e-06 | PASS |
| Multipoles [step 20] | -2.020306515741993e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 4.051305446672870e-07 | PASS |