Input 15-crank_nicolson.04-freeze_states.inp

Commits > Commit 98d0ca144537205e7b2aa0b44074de55ddb8c97d > Run foss_autotools: [foss2022a-serial]

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] -1.014067705119932e+01 -1.014067705119932e+01 1.010000000000000e-13 3.552713678800501e-15 PASS
Energy [step 10] -1.013381790798762e+01 -1.013381790798763e+01 1.010000000000000e-13 1.243449787580175e-14 PASS
Energy [step 15] -1.012563491015763e+01 -1.012563491015765e+01 1.010000000000000e-13 2.309263891220326e-14 PASS
Energy [step 20] -1.011739812323843e+01 -1.011739812323845e+01 1.010000000000000e-13 1.953992523340276e-14 PASS
Dipole [step 1] -3.981190743285006e-15 -1.039108394869460e-15 5.830000000000000e-15 -2.942082348415546e-15 PASS
Dipole [step 5] -3.955586853259948e-01 -3.955586853259905e-01 6.110000000000000e-15 -4.274358644806853e-15 PASS
Dipole [step 10] -7.406750729061560e-01 -7.406750729061549e-01 7.410000000000000e-15 -1.110223024625157e-15 PASS
Dipole [step 15] -1.039084057464596e+00 -1.039084057464601e+00 1.140000000000000e-14 4.662936703425657e-15 PASS
Dipole [step 20] -1.295829936532783e+00 -1.295829936532780e+00 1.300000000000000e-14 -3.330669073875470e-15 PASS
Compare to other inputs