Input 01-propagators.05-etrs_chebyshev.inp

Commits > Commit 32c00845502bbc3ac64555e3c727792a7ab72a6a > Run spack_foss-2023a_mpi_debug

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.060686608766763e+01 -1.060686608766762e+01 1.060000000000000e-13 -7.105427357601002e-15 PASS
Energy [step 20] -1.059306110576122e+01 -1.059306110576122e+01 1.060000000000000e-13 3.552713678800501e-15 PASS
Multipoles [step 0] -3.735878793820202e-17 1.824331091466839e-16 4.490000000000000e-15 -2.197918970848859e-16 PASS
Multipoles [step 20] -1.269354346362588e-01 -1.269354346362595e-01 3.850000000000000e-15 7.494005416219807e-16 PASS
Forces [step 0] 8.537673799433465e-02 8.537673799433354e-02 5.130000000000000e-15 1.110223024625157e-15 PASS
Forces [step 20] 7.713299237647719e-02 7.713299237647830e-02 3.860000000000000e-15 -1.110223024625157e-15 PASS
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