Input 01-propagators.03-etrs_taylor.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 8.300000000000000e-14 -1.598721155460225e-14 PASS
Energy [step 20] -1.060634834378746e+01 -1.060634834378750e+01 5.300000000000000e-13 3.907985046680551e-14 PASS
Multipoles [step 0] -1.420711204930258e-15 2.282730401188460e-15 4.670000000000000e-15 -3.703441606118718e-15 PASS
Multipoles [step 20] -1.265540767271373e-01 -1.265540767271380e-01 6.330000000000000e-15 7.216449660063518e-16 PASS
Forces [step 0] 8.537491810749342e-02 8.537491810749601e-02 8.799999999999999e-15 -2.581268532253489e-15 PASS
Forces [step 20] 7.966818746569970e-02 7.966818746569601e-02 3.980000000000000e-15 3.691491556878645e-15 PASS
Compare to other inputs