Input 02-propagators.02-cnsparskit.inp

Commits > Commit 7368b0b20aad13e0ecfc3e36ba5b1a9f5c3d54b1 > Run spack_foss-2023a_serial_omp

Matches

Name Value Reference Precision Difference Status
Forces [step 1] 8.537491810749209e-02 8.537491810749601e-02 8.300000000000000e-15 -3.913536161803677e-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] -1.060634890211197e+01 -1.060634890211200e+01 5.300000000000000e-12 3.019806626980426e-14 PASS
Multipoles [step 1] 2.161271162037792e-15 2.282730401188460e-15 4.670000000000000e-15 -1.214592391506677e-16 PASS
Multipoles [step 20] -1.265308695811634e-01 -1.265308695811640e-01 6.330000000000000e-15 6.106226635438361e-16 PASS
Compare to other inputs