Input 15-crank_nicolson.02-kick.inp

Commits > Commit daa93de2f371acc02c8ba320d7b5759725cfd1f4 > Run spack_foss-2022a_serial_omp

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058495024056697e+01 -1.058495024056700e+01 5.290000000000000e-14 3.019806626980426e-14 PASS
Energy [step 5] -1.042950046762292e+01 -1.042950046762280e+01 5.210000000000000e-13 -1.207922650792170e-13 PASS
Energy [step 10] -1.042949455599588e+01 -1.042949455599585e+01 5.470000000000000e-14 -3.019806626980426e-14 PASS
Energy [step 15] -1.042949281135019e+01 -1.042949281135020e+01 5.210000000000000e-13 1.065814103640150e-14 PASS
Energy [step 20] -1.042949283327558e+01 -1.042949283327550e+01 5.210000000000000e-13 -8.171241461241152e-14 PASS
Dipole [step 1] -1.880058608794144e-15 1.780638116610150e-16 6.520000000000000e-15 -2.058122420455159e-15 PASS
Dipole [step 5] -7.295378386576041e-01 -7.295378386572620e-01 3.920000000000000e-13 -3.421707361894732e-13 PASS
Dipole [step 10] -1.339265779873705e+00 -1.339265779872980e+00 8.630000000000000e-13 -7.247535904753022e-13 PASS
Dipole [step 15] -1.833833176925327e+00 -1.833833176924580e+00 8.250000000000000e-13 -7.467360063628803e-13 PASS
Dipole [step 20] -2.215306230136988e+00 -2.215306230136700e+00 1.110000000000000e-12 -2.877698079828406e-13 PASS
Compare to other inputs