Input 12-tddft-currents-to-maxwell.05-benzene-extsource-td-veloc-gauge.inp
Commits >
Commit d89ed1adec8f63937926022ba961c15ddb98b66b >
Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Benzene Energy [step 0] | -3.744578880864107e+01 | -3.744578235744470e+01 | 1.000000000000000e-04 | -6.451196369994250e-06 | PASS |
| Benzene Energy [step 20] | -3.744529933934507e+01 | -3.744529289078146e+01 | 1.000000000000000e-04 | -6.448563610206293e-06 | PASS |
| Benzene Multipoles [step 0] | 2.996862572808291e-15 | 0.000000000000000e+00 | 1.000000000000000e-10 | 2.996862572808291e-15 | PASS |
| Benzene Multipoles [step 20] | -9.520478523974686e-04 | -9.520492016606303e-04 | 1.000000000000000e-07 | 1.349263161701947e-09 | PASS |