Input 15-crank_nicolson.02-kick.inp

Commits > Commit a52301560213e3c8fdab44f55dc98126fab73840 > Run spack_foss-2023a_serial_omp

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058497392618079e+01 -1.058497392618078e+01 1.060000000000000e-13 -8.881784197001252e-15 PASS
Energy [step 5] -1.042952410766973e+01 -1.042952410766969e+01 1.040000000000000e-13 -4.263256414560601e-14 PASS
Energy [step 10] -1.042951819589653e+01 -1.042951819589651e+01 1.040000000000000e-13 -2.486899575160351e-14 PASS
Energy [step 15] -1.042951645116279e+01 -1.042951645116274e+01 1.040000000000000e-13 -4.796163466380676e-14 PASS
Energy [step 20] -1.042951647298864e+01 -1.042951647298858e+01 1.130000000000000e-13 -6.394884621840902e-14 PASS
Dipole [step 1] 2.211071169905265e-15 1.780638116610150e-16 6.520000000000000e-15 2.033007358244250e-15 PASS
Dipole [step 5] -7.295369687096879e-01 -7.295369687093400e-01 3.930000000000000e-13 -3.478328736150615e-13 PASS
Dipole [step 10] -1.339262979001100e+00 -1.339262979000332e+00 8.650000000000001e-13 -7.680522884356833e-13 PASS
Dipole [step 15] -1.833828239416936e+00 -1.833828239416189e+00 8.390000000000000e-13 -7.474021401776554e-13 PASS
Dipole [step 20] -2.215299445825964e+00 -2.215299445825728e+00 2.800000000000000e-13 -2.358113704303832e-13 PASS
Compare to other inputs