Input 02-propagators.02-cnsparskit.inp

Commits > Commit babc485c55a2119a415aa56305cb49f398154cb7 > Run spack_foss-2022a_ppc

Matches

Name Value Reference Precision Difference Status
Forces [step 1] 8.537491810749787e-02 8.537491810749601e-02 8.300000000000000e-15 1.859623566247137e-15 PASS
Forces [step 20] 7.964818149492991e-02 7.964818149493391e-02 5.370000000000000e-15 -3.996802888650564e-15 PASS
Energy [step 1] -1.060684240205380e+01 -1.060684240205380e+01 5.300000000000000e-14 0.000000000000000e+00 PASS
Energy [step 20] -1.060634890211196e+01 -1.060634890211200e+01 5.300000000000000e-12 4.085620730620576e-14 PASS
Multipoles [step 1] 3.468993768998042e-15 2.282730401188460e-15 4.670000000000000e-15 1.186263367809582e-15 PASS
Multipoles [step 20] -1.265308695811616e-01 -1.265308695811640e-01 6.330000000000000e-15 2.386979502944087e-15 PASS
Compare to other inputs