Input 01-propagators.05-etrs_chebyshev.inp

Commits > Commit cbea69fbf625d621b43d7bf990e8d9b27d6c495d > Run spack_foss-2023a_mpi_opt

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.060686608766763e+01 -1.060686608766762e+01 1.060000000000000e-13 -8.881784197001252e-15 PASS
Energy [step 20] -1.059306110576122e+01 -1.059306110576122e+01 1.060000000000000e-13 1.776356839400250e-15 PASS
Multipoles [step 0] 2.761706390918412e-15 1.824331091466839e-16 4.490000000000000e-15 2.579273281771728e-15 PASS
Multipoles [step 20] -1.269354346362579e-01 -1.269354346362595e-01 3.850000000000000e-15 1.582067810090848e-15 PASS
Forces [step 0] 8.537673799433332e-02 8.537673799433354e-02 5.130000000000000e-15 -2.220446049250313e-16 PASS
Forces [step 20] 7.713299237647808e-02 7.713299237647830e-02 3.860000000000000e-15 -2.220446049250313e-16 PASS
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