Input 15-crank_nicolson.02-kick.inp

Commits > Commit ff858744384f796bd1ad65ff45f26dd2d219c42c > Run intel_mpi_autotools: [intel2023a-mpi]

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058497392618079e+01 -1.058497392618078e+01 1.060000000000000e-13 -1.243449787580175e-14 PASS
Energy [step 5] -1.042952410766965e+01 -1.042952410766969e+01 1.040000000000000e-13 3.730349362740526e-14 PASS
Energy [step 10] -1.042951819589648e+01 -1.042951819589651e+01 1.040000000000000e-13 2.842170943040401e-14 PASS
Energy [step 15] -1.042951645116269e+01 -1.042951645116274e+01 1.040000000000000e-13 4.973799150320701e-14 PASS
Energy [step 20] -1.042951647298849e+01 -1.042951647298858e+01 1.130000000000000e-13 8.881784197001252e-14 PASS
Dipole [step 1] -3.910066714851723e-15 1.780638116610150e-16 6.520000000000000e-15 -4.088130526512738e-15 PASS
Dipole [step 5] -7.295369687089925e-01 -7.295369687093400e-01 3.930000000000000e-13 3.474998067076740e-13 PASS
Dipole [step 10] -1.339262978999553e+00 -1.339262979000332e+00 8.650000000000001e-13 7.784883848671598e-13 PASS
Dipole [step 15] -1.833828239415432e+00 -1.833828239416189e+00 8.390000000000000e-13 7.567280135845067e-13 PASS
Dipole [step 20] -2.215299445825480e+00 -2.215299445825728e+00 2.800000000000000e-13 2.486899575160351e-13 PASS
Compare to other inputs