Input 15-crank_nicolson.04-freeze_states.inp

Commits > Commit eff5280d65f29f89ecacf7a6e9c2d06020a47460 > Run foss_mpi_debug_autotools: [foss2023a-mpi]

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.022657179873567e+01 -1.022657179873567e+01 1.020000000000000e-13 3.552713678800501e-15 PASS
Energy [step 5] -1.014067705119930e+01 -1.014067705119932e+01 1.010000000000000e-13 1.598721155460225e-14 PASS
Energy [step 10] -1.013381790798763e+01 -1.013381790798763e+01 1.010000000000000e-13 5.329070518200751e-15 PASS
Energy [step 15] -1.012563491015762e+01 -1.012563491015765e+01 1.010000000000000e-13 3.197442310920451e-14 PASS
Energy [step 20] -1.011739812323844e+01 -1.011739812323845e+01 1.010000000000000e-13 1.421085471520200e-14 PASS
Dipole [step 1] 1.727784582072900e-15 -1.039108394869460e-15 5.830000000000000e-15 2.766892976942360e-15 PASS
Dipole [step 5] -3.955586853259871e-01 -3.955586853259905e-01 6.110000000000000e-15 3.330669073875470e-15 PASS
Dipole [step 10] -7.406750729061509e-01 -7.406750729061549e-01 7.410000000000000e-15 3.996802888650564e-15 PASS
Dipole [step 15] -1.039084057464607e+00 -1.039084057464601e+00 1.140000000000000e-14 -5.551115123125783e-15 PASS
Dipole [step 20] -1.295829936532781e+00 -1.295829936532786e+00 1.300000000000000e-14 4.662936703425657e-15 PASS
Compare to other inputs