Input 01-propagators.05-etrs_chebyshev.inp

Commits > Commit b6caf805fea115365f1246dd8a44b3bc3b7dd03a > Run spack_foss-2022a_cuda_mpi_omp

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.060684240205382e+01 -1.060684240205380e+01 5.300000000000000e-14 -1.598721155460225e-14 PASS
Energy [step 20] -1.059303740001095e+01 -1.059303740000000e+01 5.300000000000000e-07 -1.094591084438434e-11 PASS
Multipoles [step 0] -1.420711204930258e-15 2.282730401188460e-15 4.670000000000000e-15 -3.703441606118718e-15 PASS
Multipoles [step 20] -1.269358520168085e-01 -1.269358520168070e-01 6.100000000000000e-15 -1.471045507628332e-15 PASS
Forces [step 0] 8.537491810749342e-02 8.537491810749601e-02 8.799999999999999e-15 -2.581268532253489e-15 PASS
Forces [step 20] 7.713156481504724e-02 7.713156481503500e-02 4.000000000000000e-14 1.224020884649235e-14 PASS
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