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

Commits > Commit ea6affb390844fd1d159151b43e705a091215c1a > Run spack_foss-2023b_serial

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 0.000000000000000e+00 PASS
Energy [step 10] -1.042955407412300e+01 -1.042955407412301e+01 1.040000000000000e-13 5.329070518200751e-15 PASS
Energy [step 15] -1.042954068676079e+01 -1.042954068676079e+01 1.040000000000000e-13 0.000000000000000e+00 PASS
Energy [step 20] -1.042953357117197e+01 -1.042953357117197e+01 1.040000000000000e-13 -5.329070518200751e-15 PASS
Dipole [step 1] -1.576976769383353e-15 1.494990959640600e-16 6.600000000000000e-15 -1.726475865347413e-15 PASS
Dipole [step 5] -7.296259873396712e-01 -7.296259873396693e-01 7.300000000000000e-15 -1.887379141862766e-15 PASS
Dipole [step 10] -1.339612194748674e+00 -1.339612194748668e+00 1.340000000000000e-14 -5.551115123125783e-15 PASS
Dipole [step 15] -1.834332930312640e+00 -1.834332930312640e+00 9.170000000000000e-14 0.000000000000000e+00 PASS
Dipole [step 20] -2.215781015847281e+00 -2.215781015847290e+00 2.220000000000000e-14 9.325873406851315e-15 PASS
Compare to other inputs