Input 15-crank_nicolson.04-freeze_states.inp

Commits > Commit 6186e1f92bb6a84e4a2e679736ea9db4d0c9eca5 > Run spack_foss-2023a_valgrind

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.022654035874429e+01 -1.022654035874430e+01 5.110000000000000e-13 1.243449787580175e-14 PASS
Energy [step 5] -1.014064572817560e+01 -1.014064572817560e+01 5.070000000000000e-14 -5.329070518200751e-15 PASS
Energy [step 10] -1.013378662931817e+01 -1.013378662931820e+01 5.070000000000000e-13 2.842170943040401e-14 PASS
Energy [step 15] -1.012560361793023e+01 -1.012560361792900e+01 5.060000000000000e-12 -1.227462576025573e-12 PASS
Energy [step 20] -1.011736675688520e+01 -1.011736675688520e+01 5.060000000000000e-13 0.000000000000000e+00 PASS
Dipole [step 1] 3.157692308314568e-16 -1.039108394869460e-15 5.830000000000000e-15 1.354877625700917e-15 PASS
Dipole [step 5] -3.955589211257087e-01 -3.955589211257070e-01 1.980000000000000e-14 -1.665334536937735e-15 PASS
Dipole [step 10] -7.406769413990204e-01 -7.406769413990340e-01 3.700000000000000e-14 1.354472090042691e-14 PASS
Dipole [step 15] -1.039087772402135e+00 -1.039087772402140e+00 5.200000000000000e-14 4.662936703425657e-15 PASS
Dipole [step 20] -1.295835165527721e+00 -1.295835165527720e+00 6.480000000000000e-14 -1.332267629550188e-15 PASS
Compare to other inputs