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

Commits > Commit 45adf9b0e5ec0c590d65885bc40efffc0d377767 > 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
Compare to other inputs