Input 15-crank_nicolson.04-freeze_states.inp

Commits > Commit 6186e1f92bb6a84e4a2e679736ea9db4d0c9eca5 > Run spack_foss-2022a_cuda_serial

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.022654035874429e+01 -1.022654035874430e+01 5.110000000000000e-13 5.329070518200751e-15 PASS
Energy [step 5] -1.014064572817562e+01 -1.014064572817560e+01 5.070000000000000e-14 -2.309263891220326e-14 PASS
Energy [step 10] -1.013378662931816e+01 -1.013378662931820e+01 5.070000000000000e-13 3.552713678800501e-14 PASS
Energy [step 15] -1.012560361793024e+01 -1.012560361792900e+01 5.060000000000000e-12 -1.236344360222574e-12 PASS
Energy [step 20] -1.011736675688521e+01 -1.011736675688520e+01 5.060000000000000e-13 -1.421085471520200e-14 PASS
Dipole [step 1] 6.125570021922946e-16 -1.039108394869460e-15 5.830000000000000e-15 1.651665397061755e-15 PASS
Dipole [step 5] -3.955589211257088e-01 -3.955589211257070e-01 1.980000000000000e-14 -1.831867990631508e-15 PASS
Dipole [step 10] -7.406769413990213e-01 -7.406769413990340e-01 3.700000000000000e-14 1.265654248072678e-14 PASS
Dipole [step 15] -1.039087772402134e+00 -1.039087772402140e+00 5.200000000000000e-14 5.995204332975845e-15 PASS
Dipole [step 20] -1.295835165527719e+00 -1.295835165527720e+00 6.480000000000000e-14 1.110223024625157e-15 PASS
Compare to other inputs