Input 15-crank_nicolson.02-kick.inp

Commits > Commit b1773e3237a9e3fe1d68ecd7146c17ebbd95a961 > Run spack_intel-2023a_impi

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] -1.042952410766965e+01 -1.042952410766969e+01 1.040000000000000e-13 3.730349362740526e-14 PASS
Energy [step 10] -1.042951819589649e+01 -1.042951819589651e+01 1.040000000000000e-13 2.309263891220326e-14 PASS
Energy [step 15] -1.042951645116269e+01 -1.042951645116274e+01 1.040000000000000e-13 5.151434834260726e-14 PASS
Energy [step 20] -1.042951647298849e+01 -1.042951647298858e+01 1.130000000000000e-13 9.237055564881302e-14 PASS
Dipole [step 1] -9.263423361716150e-16 1.780638116610150e-16 6.520000000000000e-15 -1.104406147832630e-15 PASS
Dipole [step 5] -7.295369687089883e-01 -7.295369687093400e-01 3.930000000000000e-13 3.517186542012496e-13 PASS
Dipole [step 10] -1.339262978999549e+00 -1.339262979000332e+00 8.650000000000001e-13 7.827072323607354e-13 PASS
Dipole [step 15] -1.833828239415427e+00 -1.833828239416189e+00 8.390000000000000e-13 7.613909502879324e-13 PASS
Dipole [step 20] -2.215299445825475e+00 -2.215299445825728e+00 2.800000000000000e-13 2.531308496145357e-13 PASS
Compare to other inputs