Input 15-crank_nicolson.04-freeze_states.inp

Commits > Commit 3874475d54e6d4931162c1a62f5667add8f8f561 > Run foss_cmake: [foss2023a-mpi, foss-min-mpi]

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.022657179873565e+01 -1.022657179873567e+01 1.020000000000000e-13 1.598721155460225e-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 1.953992523340276e-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 2.842170943040401e-14 PASS
Dipole [step 1] -8.881784197001252e-16 -1.039108394869460e-15 5.830000000000000e-15 1.509299751693348e-16 PASS
Dipole [step 5] -3.955586853259940e-01 -3.955586853259905e-01 6.110000000000000e-15 -3.552713678800501e-15 PASS
Dipole [step 10] -7.406750729061539e-01 -7.406750729061549e-01 7.410000000000000e-15 9.992007221626409e-16 PASS
Dipole [step 15] -1.039084057464596e+00 -1.039084057464601e+00 1.140000000000000e-14 4.662936703425657e-15 PASS
Dipole [step 20] -1.295829936532779e+00 -1.295829936532786e+00 1.300000000000000e-14 7.327471962526033e-15 PASS
Compare to other inputs