Input 15-crank_nicolson.04-freeze_states.inp

Commits > Commit ea6affb390844fd1d159151b43e705a091215c1a > Run spack_foss-2023a_valgrind

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.022657179873570e+01 -1.022657179873567e+01 1.020000000000000e-13 -2.664535259100376e-14 PASS
Energy [step 5] -1.014067705119936e+01 -1.014067705119932e+01 1.010000000000000e-13 -3.907985046680551e-14 PASS
Energy [step 10] -1.013381790798766e+01 -1.013381790798763e+01 1.010000000000000e-13 -2.664535259100376e-14 PASS
Energy [step 15] -1.012563491015769e+01 -1.012563491015765e+01 1.010000000000000e-13 -3.552713678800501e-14 PASS
Energy [step 20] -1.011739812323848e+01 -1.011739812323845e+01 1.010000000000000e-13 -3.019806626980426e-14 PASS
Dipole [step 1] 2.288510628559431e-15 -1.039108394869460e-15 5.830000000000000e-15 3.327619023428891e-15 PASS
Dipole [step 5] -3.955586853259889e-01 -3.955586853259905e-01 6.110000000000000e-15 1.554312234475219e-15 PASS
Dipole [step 10] -7.406750729061532e-01 -7.406750729061549e-01 7.410000000000000e-15 1.665334536937735e-15 PASS
Dipole [step 15] -1.039084057464594e+00 -1.039084057464601e+00 1.140000000000000e-14 6.883382752675971e-15 PASS
Dipole [step 20] -1.295829936532785e+00 -1.295829936532786e+00 1.300000000000000e-14 1.110223024625157e-15 PASS
Compare to other inputs