Input 02-propagators.02-cnsparskit.inp

Commits > Commit 49118372ba86b967cc9f5fccbbf24835f53b10d7 > Run spack_foss-2023a_mpi_omp

Matches

Name Value Reference Precision Difference Status
Forces [step 1] 8.537491810749076e-02 8.537491810749601e-02 8.300000000000000e-15 -5.245803791353865e-15 PASS
Forces [step 20] 7.964818149493347e-02 7.964818149493391e-02 5.370000000000000e-15 -4.440892098500626e-16 PASS
Energy [step 1] -1.060684240205383e+01 -1.060684240205380e+01 5.300000000000000e-14 -2.664535259100376e-14 PASS
Energy [step 20] -1.060634890211198e+01 -1.060634890211200e+01 5.300000000000000e-12 2.486899575160351e-14 PASS
Multipoles [step 1] 1.212975032915953e-15 2.282730401188460e-15 4.670000000000000e-15 -1.069755368272507e-15 PASS
Multipoles [step 20] -1.265308695811649e-01 -1.265308695811640e-01 6.330000000000000e-15 -8.604228440844963e-16 PASS
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