Input 12-tddft-currents-to-maxwell.05-benzene-extsource-td-veloc-gauge.inp
Commits >
Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc >
Run cuda: [foss2022a-cuda-mpi, ci-foss-full-cuda]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Benzene Energy [step 0] | -3.744578880864101e+01 | -3.744578235744470e+01 | 1.000000000000000e-04 | -6.451196306045404e-06 | PASS |
| Benzene Energy [step 20] | -3.744529933934500e+01 | -3.744529289078146e+01 | 1.000000000000000e-04 | -6.448563539152019e-06 | PASS |
| Benzene Multipoles [step 0] | 5.990861863119379e-15 | 0.000000000000000e+00 | 1.000000000000000e-10 | 5.990861863119379e-15 | PASS |
| Benzene Multipoles [step 20] | -9.520478523939178e-04 | -9.520492016606303e-04 | 1.000000000000000e-07 | 1.349266712464062e-09 | PASS |