Input 15-crank_nicolson.04-freeze_states.inp

Commits > Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e > Run foss_mpi_min_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] -1.014067705119931e+01 -1.014067705119932e+01 1.010000000000000e-13 1.065814103640150e-14 PASS
Energy [step 10] -1.013381790798762e+01 -1.013381790798763e+01 1.010000000000000e-13 7.105427357601002e-15 PASS
Energy [step 15] -1.012563491015762e+01 -1.012563491015765e+01 1.010000000000000e-13 2.842170943040401e-14 PASS
Energy [step 20] -1.011739812323844e+01 -1.011739812323845e+01 1.010000000000000e-13 8.881784197001252e-15 PASS
Dipole [step 1] 1.110223024625157e-15 -1.039108394869460e-15 5.830000000000000e-15 2.149331419494617e-15 PASS
Dipole [step 5] -3.955586853259898e-01 -3.955586853259905e-01 6.110000000000000e-15 6.661338147750939e-16 PASS
Dipole [step 10] -7.406750729061504e-01 -7.406750729061549e-01 7.410000000000000e-15 4.440892098500626e-15 PASS
Dipole [step 15] -1.039084057464596e+00 -1.039084057464601e+00 1.140000000000000e-14 4.662936703425657e-15 PASS
Dipole [step 20] -1.295829936532776e+00 -1.295829936532786e+00 1.300000000000000e-14 1.043609643147647e-14 PASS
Compare to other inputs