Input 02-propagators.02-cnsparskit.inp

Commits > Commit 119356330ffc33ec037b7259f31bc868121af1f1 > Run spack_intel-2022a_impi_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] 7.964818149493302e-02 7.964818149493391e-02 5.370000000000000e-15 -8.881784197001252e-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 2.309263891220326e-14 PASS
Multipoles [step 1] 4.397763403440891e-15 2.282730401188460e-15 4.670000000000000e-15 2.115033002252431e-15 PASS
Multipoles [step 20] -1.265308695811620e-01 -1.265308695811640e-01 6.330000000000000e-15 1.970645868709653e-15 PASS
Compare to other inputs