Input 02-propagators.02-cnsparskit.inp

Commits > Commit a207e10cd726e9ee7bae9ea565d18a80e5fdcb20 > Run foss-mpi-debug: [foss2023a-mpi]

Matches

Name Value Reference Precision Difference Status
Forces [step 1] 8.537673799433332e-02 8.537673799433354e-02 1.250000000000000e-14 -2.220446049250313e-16 PASS
Forces [step 20] 7.964959635257429e-02 7.964959635257580e-02 7.040000000000000e-15 -1.512678871051776e-15 PASS
Energy [step 1] -1.060686608766763e+01 -1.060686608766762e+01 1.060000000000000e-13 -1.421085471520200e-14 PASS
Energy [step 20] -1.060637261154880e+01 -1.060637261154880e+01 1.060000000000000e-13 -3.552713678800501e-15 PASS
Multipoles [step 1] 1.508198412350243e-15 5.879834888021430e-16 4.510000000000000e-15 9.202149235481000e-16 PASS
Multipoles [step 20] -1.265304528942190e-01 -1.265304528942195e-01 6.870000000000000e-15 4.996003610813204e-16 PASS
Compare to other inputs