Input 12-tddft-currents-to-maxwell.05-benzene-extsource-td-veloc-gauge.inp

Commits > Commit 57f8ca8d342504024fed98c8f4356f69f5870627 > Run cuda-serial: [foss2022a-cuda-mpi]

Matches

Name Value Reference Precision Difference Status
Benzene Energy [step 0] -3.744578880864104e+01 -3.744578235744470e+01 1.000000000000000e-04 -6.451196341572540e-06 PASS
Benzene Energy [step 20] -3.744529933934501e+01 -3.744529289078146e+01 1.000000000000000e-04 -6.448563553362874e-06 PASS
Benzene Multipoles [step 0] 2.053981346479414e-15 0.000000000000000e+00 1.000000000000000e-10 2.053981346479414e-15 PASS
Benzene Multipoles [step 20] -9.520478523976203e-04 -9.520492016606303e-04 1.000000000000000e-07 1.349263010022063e-09 PASS
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