Input 15-crank_nicolson.02-kick.inp

Commits > Commit 7674d3f014e9528d45a88358f14173f28daae041 > Run foss-mpi-opt-full: [foss2023a-mpi]

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058497392618079e+01 -1.058497392618078e+01 1.060000000000000e-13 -8.881784197001252e-15 PASS
Energy [step 5] -1.042952410766965e+01 -1.042952410766969e+01 1.040000000000000e-13 4.085620730620576e-14 PASS
Energy [step 10] -1.042951819589649e+01 -1.042951819589651e+01 1.040000000000000e-13 2.309263891220326e-14 PASS
Energy [step 15] -1.042951645116269e+01 -1.042951645116274e+01 1.040000000000000e-13 5.329070518200751e-14 PASS
Energy [step 20] -1.042951647298849e+01 -1.042951647298858e+01 1.130000000000000e-13 9.414691248821327e-14 PASS
Dipole [step 1] 6.973588373426765e-16 1.780638116610150e-16 6.520000000000000e-15 5.192950256816615e-16 PASS
Dipole [step 5] -7.295369687089878e-01 -7.295369687093400e-01 3.930000000000000e-13 3.522737657135622e-13 PASS
Dipole [step 10] -1.339262978999549e+00 -1.339262979000332e+00 8.650000000000001e-13 7.831513215705854e-13 PASS
Dipole [step 15] -1.833828239415429e+00 -1.833828239416189e+00 8.390000000000000e-13 7.598366380534571e-13 PASS
Dipole [step 20] -2.215299445825477e+00 -2.215299445825728e+00 2.800000000000000e-13 2.509104035652854e-13 PASS
Compare to other inputs