Input 02-propagators.02-cnsparskit.inp

Commits > Commit fa579c158b779976d5f0fa5d04f6d011c21f022f > Run spack_foss-2023a_mpi_opt

Matches

Name Value Reference Precision Difference Status
Forces [step 1] 8.537491810748810e-02 8.537491810749601e-02 8.300000000000000e-15 -7.910339050454240e-15 PASS
Forces [step 20] 7.964818149493391e-02 7.964818149493391e-02 5.370000000000000e-15 0.000000000000000e+00 PASS
Energy [step 1] -1.060684240205382e+01 -1.060684240205380e+01 5.300000000000000e-14 -1.776356839400250e-14 PASS
Energy [step 20] -1.060634890211198e+01 -1.060634890211200e+01 5.300000000000000e-12 2.486899575160351e-14 PASS
Multipoles [step 1] -9.399314212696872e-16 2.282730401188460e-15 4.670000000000000e-15 -3.222661822458147e-15 PASS
Multipoles [step 20] -1.265308695811650e-01 -1.265308695811640e-01 6.330000000000000e-15 -9.714451465470120e-16 PASS
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