Input 15-crank_nicolson.04-freeze_states.inp

Commits > Commit 9972eae3cc35bad71f44bb929051f5e204f853a2 > Run foss_cmake: [foss2022a-mpi, foss-min-mpi]

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.022657179873567e+01 -1.022657179873567e+01 1.020000000000000e-13 0.000000000000000e+00 PASS
Energy [step 5] -1.014067705119932e+01 -1.014067705119932e+01 1.010000000000000e-13 3.552713678800501e-15 PASS
Energy [step 10] -1.013381790798764e+01 -1.013381790798763e+01 1.010000000000000e-13 -8.881784197001252e-15 PASS
Energy [step 15] -1.012563491015763e+01 -1.012563491015765e+01 1.010000000000000e-13 2.486899575160351e-14 PASS
Energy [step 20] -1.011739812323845e+01 -1.011739812323845e+01 1.010000000000000e-13 3.552713678800501e-15 PASS
Dipole [step 1] 2.220446049250313e-16 -1.039108394869460e-15 5.830000000000000e-15 1.261152999794491e-15 PASS
Dipole [step 5] -3.955586853259919e-01 -3.955586853259905e-01 6.110000000000000e-15 -1.443289932012704e-15 PASS
Dipole [step 10] -7.406750729061544e-01 -7.406750729061549e-01 7.410000000000000e-15 4.440892098500626e-16 PASS
Dipole [step 15] -1.039084057464597e+00 -1.039084057464601e+00 1.140000000000000e-14 3.552713678800501e-15 PASS
Dipole [step 20] -1.295829936532778e+00 -1.295829936532780e+00 1.300000000000000e-14 1.776356839400250e-15 PASS
Compare to other inputs