Input 15-crank_nicolson.04-freeze_states.inp

Commits > Commit adf3952efd5c2bdc0cc9389163d26498c92cbe64 > Run foss-mpi-full: [foss2023a-mpi]

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.022657179873566e+01 -1.022657179873567e+01 1.020000000000000e-13 8.881784197001252e-15 PASS
Energy [step 5] -1.014067705119930e+01 -1.014067705119932e+01 1.010000000000000e-13 1.953992523340276e-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 3.197442310920451e-14 PASS
Energy [step 20] -1.011739812323843e+01 -1.011739812323845e+01 1.010000000000000e-13 2.309263891220326e-14 PASS
Dipole [step 1] 4.111294638065033e-15 -1.039108394869460e-15 5.830000000000000e-15 5.150403032934493e-15 PASS
Dipole [step 5] -3.955586853259846e-01 -3.955586853259905e-01 6.110000000000000e-15 5.884182030513330e-15 PASS
Dipole [step 10] -7.406750729061486e-01 -7.406750729061549e-01 7.410000000000000e-15 6.217248937900877e-15 PASS
Dipole [step 15] -1.039084057464603e+00 -1.039084057464601e+00 1.140000000000000e-14 -1.998401444325282e-15 PASS
Dipole [step 20] -1.295829936532779e+00 -1.295829936532780e+00 1.300000000000000e-14 8.881784197001252e-16 PASS
Compare to other inputs