Input 15-crank_nicolson.04-freeze_states.inp

Commits > Commit bb161c2d0107cec853e686df3a469ebc444968d7 > Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]

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] -1.014067705119930e+01 -1.014067705119932e+01 1.010000000000000e-13 2.131628207280301e-14 PASS
Energy [step 10] -1.013381790798762e+01 -1.013381790798763e+01 1.010000000000000e-13 1.243449787580175e-14 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 2.131628207280301e-14 PASS
Dipole [step 1] -2.622901895676932e-15 -1.039108394869460e-15 5.830000000000000e-15 -1.583793500807472e-15 PASS
Dipole [step 5] -3.955586853259920e-01 -3.955586853259905e-01 6.110000000000000e-15 -1.554312234475219e-15 PASS
Dipole [step 10] -7.406750729061551e-01 -7.406750729061549e-01 7.410000000000000e-15 -2.220446049250313e-16 PASS
Dipole [step 15] -1.039084057464611e+00 -1.039084057464601e+00 1.140000000000000e-14 -1.021405182655144e-14 PASS
Dipole [step 20] -1.295829936532788e+00 -1.295829936532786e+00 1.300000000000000e-14 -1.998401444325282e-15 PASS
Compare to other inputs