Input 14-fullerene_unpacked.03-td-packed.inp
Commits >
Commit d89ed1adec8f63937926022ba961c15ddb98b66b >
Run intel_mpi_omp_autotools: [intel2022a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128382e+02 | -3.184216450128310e+02 | 1.570000000000000e-11 | -7.219114195322618e-12 | PASS |
| Energy [step 20] | -3.184094654954733e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | -4.035882739117369e-12 | PASS |
| Multipoles [step 0] | -1.208530407206893e-03 | -1.211520628226222e-03 | 9.480000000000001e-06 | 2.990221019329381e-06 | PASS |
| Multipoles [step 20] | -2.020307201777679e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | -2.809051409258245e-07 | PASS |