Input 06-caetrs.04-kick-tp2.inp

Commits > Commit bb686499811dbfe67b92ca3aeb5b2659998636fa > Run spack_foss-2022a_mpi_min

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058497392618078e+01 -1.058497392618078e+01 1.060000000000000e-13 1.776356839400250e-15 PASS
Energy [step 5] -1.042957396714843e+01 -1.042957396714843e+01 1.040000000000000e-13 -3.552713678800501e-15 PASS
Energy [step 10] -1.042955407412302e+01 -1.042955407412301e+01 1.040000000000000e-13 -1.421085471520200e-14 PASS
Energy [step 15] -1.042954068676078e+01 -1.042954068676079e+01 1.040000000000000e-13 1.421085471520200e-14 PASS
Energy [step 20] -1.042953357117197e+01 -1.042953357117197e+01 1.040000000000000e-13 1.776356839400250e-15 PASS
Dipole [step 1] 1.879536992352697e-15 1.494990959640600e-16 6.600000000000000e-15 1.730037896388638e-15 PASS
Dipole [step 5] -7.296259873396674e-01 -7.296259873396693e-01 7.300000000000000e-15 1.887379141862766e-15 PASS
Dipole [step 10] -1.339612194748671e+00 -1.339612194748668e+00 1.340000000000000e-14 -3.330669073875470e-15 PASS
Dipole [step 15] -1.834332930312637e+00 -1.834332930312640e+00 9.170000000000000e-14 3.108624468950438e-15 PASS
Dipole [step 20] -2.215781015847280e+00 -2.215781015847290e+00 2.220000000000000e-14 1.021405182655144e-14 PASS
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