Input 12-tddft-currents-to-maxwell.05-benzene-extsource-td-veloc-gauge.inp
Commits >
Commit 9a893b9dbe73f1d3f49cd24e2707361da541a5ca >
Run cuda: [foss2022a-cuda-mpi, ci-foss-full-cuda]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Benzene Energy [step 0] | -3.744578880864103e+01 | -3.744578235744470e+01 | 1.000000000000000e-04 | -6.451196327361686e-06 | PASS |
| Benzene Energy [step 20] | -3.744529933934501e+01 | -3.744529289078146e+01 | 1.000000000000000e-04 | -6.448563553362874e-06 | PASS |
| Benzene Multipoles [step 0] | 2.815535186094625e-15 | 0.000000000000000e+00 | 1.000000000000000e-10 | 2.815535186094625e-15 | PASS |
| Benzene Multipoles [step 20] | -9.520478523957169e-04 | -9.520492016606303e-04 | 1.000000000000000e-07 | 1.349264913447397e-09 | PASS |