Input 15-crank_nicolson.02-kick.inp

Commits > Commit daa93de2f371acc02c8ba320d7b5759725cfd1f4 > Run intel-2022b_impi

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058495024056698e+01 -1.058495024056700e+01 5.290000000000000e-14 2.131628207280301e-14 PASS
Energy [step 5] -1.042950046762284e+01 -1.042950046762280e+01 5.210000000000000e-13 -3.907985046680551e-14 PASS
Energy [step 10] -1.042949455599584e+01 -1.042949455599585e+01 5.470000000000000e-14 1.421085471520200e-14 PASS
Energy [step 15] -1.042949281135010e+01 -1.042949281135020e+01 5.210000000000000e-13 9.947598300641403e-14 PASS
Energy [step 20] -1.042949283327543e+01 -1.042949283327550e+01 5.210000000000000e-13 6.927791673660977e-14 PASS
Dipole [step 1] 1.332267629550188e-15 1.780638116610150e-16 6.520000000000000e-15 1.154203817889173e-15 PASS
Dipole [step 5] -7.295378386569049e-01 -7.295378386572620e-01 3.920000000000000e-13 3.570477247194503e-13 PASS
Dipole [step 10] -1.339265779872152e+00 -1.339265779872980e+00 8.630000000000000e-13 8.282263763703668e-13 PASS
Dipole [step 15] -1.833833176923829e+00 -1.833833176924580e+00 8.250000000000000e-13 7.509548538564559e-13 PASS
Dipole [step 20] -2.215306230136504e+00 -2.215306230136700e+00 1.110000000000000e-12 1.958433415438776e-13 PASS
Compare to other inputs