Input 15-crank_nicolson.04-freeze_states.inp

Commits > Commit 69bdc22e524ab1df7701119670aff9b913714e90 > Run intel_mpi_autotools: [intel2023a-mpi]

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.022657179873567e+01 -1.022657179873567e+01 1.020000000000000e-13 1.776356839400250e-15 PASS
Energy [step 5] -1.014067705119931e+01 -1.014067705119932e+01 1.010000000000000e-13 1.421085471520200e-14 PASS
Energy [step 10] -1.013381790798763e+01 -1.013381790798763e+01 1.010000000000000e-13 0.000000000000000e+00 PASS
Energy [step 15] -1.012563491015762e+01 -1.012563491015765e+01 1.010000000000000e-13 3.019806626980426e-14 PASS
Energy [step 20] -1.011739812323844e+01 -1.011739812323845e+01 1.010000000000000e-13 1.421085471520200e-14 PASS
Dipole [step 1] -3.910066714851723e-15 -1.039108394869460e-15 5.830000000000000e-15 -2.870958319982263e-15 PASS
Dipole [step 5] -3.955586853259933e-01 -3.955586853259905e-01 6.110000000000000e-15 -2.775557561562891e-15 PASS
Dipole [step 10] -7.406750729061562e-01 -7.406750729061549e-01 7.410000000000000e-15 -1.332267629550188e-15 PASS
Dipole [step 15] -1.039084057464611e+00 -1.039084057464601e+00 1.140000000000000e-14 -9.992007221626409e-15 PASS
Dipole [step 20] -1.295829936532786e+00 -1.295829936532780e+00 1.300000000000000e-14 -6.439293542825908e-15 PASS
Compare to other inputs