Input 12-tddft-currents-to-maxwell.05-benzene-extsource-td-veloc-gauge.inp
Commits >
Commit eff5280d65f29f89ecacf7a6e9c2d06020a47460 >
Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Benzene Energy [step 0] | -3.744578880864108e+01 | -3.744578235744470e+01 | 1.000000000000000e-04 | -6.451196377099677e-06 | PASS |
| Benzene Energy [step 20] | -3.744529933934506e+01 | -3.744529289078146e+01 | 1.000000000000000e-04 | -6.448563595995438e-06 | PASS |
| Benzene Multipoles [step 0] | -1.510418736695378e-15 | 0.000000000000000e+00 | 1.000000000000000e-10 | -1.510418736695378e-15 | PASS |
| Benzene Multipoles [step 20] | -9.520478524011608e-04 | -9.520492016606303e-04 | 1.000000000000000e-07 | 1.349259469559869e-09 | PASS |