Input 15-crank_nicolson.03-freeze_domains.inp

Commits > Commit bb686499811dbfe67b92ca3aeb5b2659998636fa > Run spack_foss-2023a_mpi_opt

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.022657179873565e+01 -1.022657179873567e+01 1.020000000000000e-13 1.776356839400250e-14 PASS
Energy [step 5] -1.014067705119929e+01 -1.014067705119932e+01 1.010000000000000e-13 2.664535259100376e-14 PASS
Energy [step 10] -1.013381790798761e+01 -1.013381790798763e+01 1.010000000000000e-13 2.131628207280301e-14 PASS
Energy [step 15] -1.012563491015761e+01 -1.012563491015765e+01 1.010000000000000e-13 4.263256414560601e-14 PASS
Energy [step 20] -1.011739812323842e+01 -1.011739812323845e+01 1.010000000000000e-13 3.019806626980426e-14 PASS
Dipole [step 1] -7.105427357601002e-15 -7.216449660063501e-16 8.000000000000001e-15 -6.383782391594652e-15 PASS
Dipole [step 5] -3.955586853260016e-01 -3.955586853259932e-01 9.279999999999999e-15 -8.382183835919932e-15 PASS
Dipole [step 10] -7.406750729061509e-01 -7.406750729061549e-01 7.410000000000000e-15 3.996802888650564e-15 PASS
Dipole [step 15] -1.039084057464622e+00 -1.039084057464608e+00 1.940000000000000e-14 -1.421085471520200e-14 PASS
Dipole [step 20] -1.295829936532773e+00 -1.295829936532780e+00 1.490000000000000e-14 7.327471962526033e-15 PASS
Projections -6.245004513516506e-17 1.179611963664229e-16 3.610000000000000e-14 -1.804112415015879e-16 PASS
Projections 9.999999999999997e-01 1.000000000000000e+00 3.940000000000000e-14 -3.330669073875470e-16 PASS
Compare to other inputs