Input 02-propagators.02-cnsparskit.inp

Commits > Commit b15abc005d0b5301cd748c91bbd98ee634ebaa25 > Run spack_intel-2023a_serial

Matches

Name Value Reference Precision Difference Status
Forces [step 1] 8.537491810749165e-02 8.537491810749601e-02 8.300000000000000e-15 -4.357625371653739e-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 -2.131628207280301e-14 PASS
Energy [step 20] -1.060634890211196e+01 -1.060634890211200e+01 5.300000000000000e-12 4.263256414560601e-14 PASS
Multipoles [step 1] 2.566881826722173e-15 2.282730401188460e-15 4.670000000000000e-15 2.841514255337135e-16 PASS
Multipoles [step 20] -1.265308695811631e-01 -1.265308695811640e-01 6.330000000000000e-15 8.881784197001252e-16 PASS
Compare to other inputs