Input 15-crank_nicolson.02-kick.inp

Commits > Commit 6186e1f92bb6a84e4a2e679736ea9db4d0c9eca5 > Run spack_foss-2022a_cuda_serial

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058495024056695e+01 -1.058495024056700e+01 1.060000000000000e-13 4.796163466380676e-14 PASS
Energy [step 5] -1.042950046762292e+01 -1.042950046762280e+01 5.210000000000000e-13 -1.225686219186173e-13 PASS
Energy [step 10] -1.042949455599585e+01 -1.042949455599585e+01 5.470000000000000e-14 1.776356839400250e-15 PASS
Energy [step 15] -1.042949281135019e+01 -1.042949281135020e+01 5.210000000000000e-13 1.065814103640150e-14 PASS
Energy [step 20] -1.042949283327555e+01 -1.042949283327550e+01 5.210000000000000e-13 -5.506706202140776e-14 PASS
Dipole [step 1] -8.921168857356325e-16 1.780638116610150e-16 6.520000000000000e-15 -1.070180697396647e-15 PASS
Dipole [step 5] -7.295378386576022e-01 -7.295378386572620e-01 3.920000000000000e-13 -3.402833570476105e-13 PASS
Dipole [step 10] -1.339265779873713e+00 -1.339265779872980e+00 8.630000000000000e-13 -7.331912854624534e-13 PASS
Dipole [step 15] -1.833833176925327e+00 -1.833833176924580e+00 8.250000000000000e-13 -7.467360063628803e-13 PASS
Dipole [step 20] -2.215306230136989e+00 -2.215306230136700e+00 1.110000000000000e-12 -2.886579864025407e-13 PASS
Compare to other inputs