Input 15-crank_nicolson.04-freeze_states.inp

Commits > Commit eff5280d65f29f89ecacf7a6e9c2d06020a47460 > Run intel_mpi_autotools: [intel2023a-mpi]

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.022657179873566e+01 -1.022657179873567e+01 1.020000000000000e-13 1.421085471520200e-14 PASS
Energy [step 5] -1.014067705119930e+01 -1.014067705119932e+01 1.010000000000000e-13 2.309263891220326e-14 PASS
Energy [step 10] -1.013381790798762e+01 -1.013381790798763e+01 1.010000000000000e-13 1.421085471520200e-14 PASS
Energy [step 15] -1.012563491015761e+01 -1.012563491015765e+01 1.010000000000000e-13 3.907985046680551e-14 PASS
Energy [step 20] -1.011739812323843e+01 -1.011739812323845e+01 1.010000000000000e-13 2.131628207280301e-14 PASS
Dipole [step 1] -9.263423361716150e-16 -1.039108394869460e-15 5.830000000000000e-15 1.127660586978450e-16 PASS
Dipole [step 5] -3.955586853259901e-01 -3.955586853259905e-01 6.110000000000000e-15 3.330669073875470e-16 PASS
Dipole [step 10] -7.406750729061538e-01 -7.406750729061549e-01 7.410000000000000e-15 1.110223024625157e-15 PASS
Dipole [step 15] -1.039084057464608e+00 -1.039084057464601e+00 1.140000000000000e-14 -7.105427357601002e-15 PASS
Dipole [step 20] -1.295829936532783e+00 -1.295829936532786e+00 1.300000000000000e-14 2.664535259100376e-15 PASS
Compare to other inputs