Input 06-caetrs.02-kick.inp

Commits > Commit bb686499811dbfe67b92ca3aeb5b2659998636fa > Run spack_foss-2023a_valgrind

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058497392618077e+01 -1.058497392618078e+01 1.060000000000000e-13 5.329070518200751e-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] -1.042954068676080e+01 -1.042954068676079e+01 1.040000000000000e-13 -5.329070518200751e-15 PASS
Energy [step 20] -1.042953357117199e+01 -1.042953357117197e+01 1.040000000000000e-13 -1.953992523340276e-14 PASS
Dipole [step 1] 2.439070612961138e-15 1.780638116610150e-16 6.600000000000000e-15 2.261006801300123e-15 PASS
Dipole [step 5] -7.296259873396693e-01 -7.296259873396698e-01 7.300000000000000e-15 4.440892098500626e-16 PASS
Dipole [step 10] -1.339612194748673e+00 -1.339612194748670e+00 1.340000000000000e-14 -3.330669073875470e-15 PASS
Dipole [step 15] -1.834332930312645e+00 -1.834332930312640e+00 9.170000000000000e-14 -4.884981308350689e-15 PASS
Dipole [step 20] -2.215781015847293e+00 -2.215781015847290e+00 2.220000000000000e-14 -2.664535259100376e-15 PASS
Compare to other inputs