Input 12-electronic_subsystem_propagators.03-aetrs.inp

Commits > Commit 08b73ec86c1ce3969ff61040f8f54a592910f9b6 > Run spack_foss-2022a_cuda_mpi_omp

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.060684240205381e+01 -1.060684240205380e+01 5.000000000000000e-13 -5.329070518200751e-15 PASS
Energy [step 20] -1.060634826182156e+01 -1.060634826182150e+01 5.000000000000000e-13 -5.861977570020827e-14 PASS
Multipoles [step 0] 2.111155000816822e-15 0.000000000000000e+00 5.000000000000000e-15 2.111155000816822e-15 PASS
Multipoles [step 20] -1.265537671052339e-01 -1.265537671052304e-01 5.000000000000000e-14 -3.552713678800501e-15 PASS
Compare to other inputs