Input 14-fullerene_unpacked.02-td-unpacked.inp
Commits >
Commit f72050fe95608e153e1887ef05d1ad42dc082fde >
Run intel_mpi_autotools: [intel2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128304e+02 | -3.184216450128310e+02 | 1.570000000000000e-11 | 6.252776074688882e-13 | PASS |
| Energy [step 20] | -3.184094654954783e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | -9.038103598868474e-12 | PASS |
| Multipoles [step 0] | -1.206889829559923e-03 | -1.211520628226222e-03 | 8.480000000000000e-06 | 4.630798666298503e-06 | PASS |
| Multipoles [step 20] | -2.020306514425899e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 4.064466385678145e-07 | PASS |