Input 02-propagators.02-cnsparskit.inp

Commits > Commit 08b73ec86c1ce3969ff61040f8f54a592910f9b6 > Run spack_foss-2023a_mpi_debug

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] 7.964818149493302e-02 7.964818149493391e-02 5.370000000000000e-15 -8.881784197001252e-16 PASS
Energy [step 1] -1.060684240205381e+01 -1.060684240205380e+01 5.300000000000000e-14 -1.421085471520200e-14 PASS
Energy [step 20] -1.060634890211198e+01 -1.060634890211200e+01 5.300000000000000e-12 2.486899575160351e-14 PASS
Multipoles [step 1] -1.233658926966599e-15 2.282730401188460e-15 4.670000000000000e-15 -3.516389328155059e-15 PASS
Multipoles [step 20] -1.265308695811664e-01 -1.265308695811640e-01 6.330000000000000e-15 -2.386979502944087e-15 PASS
Compare to other inputs