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

Commits > Commit dd0acda4415b0ab64c529ca4a26922f9782edb94 > Run spack_foss-2022a_cuda_serial

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] -1.042957396714842e+01 -1.042957396714843e+01 1.040000000000000e-13 8.881784197001252e-15 PASS
Energy [step 10] -1.042955407412300e+01 -1.042955407412301e+01 1.040000000000000e-13 1.243449787580175e-14 PASS
Energy [step 15] -1.042954068676079e+01 -1.042954068676079e+01 1.040000000000000e-13 3.552713678800501e-15 PASS
Energy [step 20] -1.042953357117196e+01 -1.042953357117197e+01 1.040000000000000e-13 7.105427357601002e-15 PASS
Dipole [step 1] 2.250250766971940e-15 1.494990959640600e-16 6.600000000000000e-15 2.100751671007880e-15 PASS
Dipole [step 5] -7.296259873396661e-01 -7.296259873396693e-01 7.300000000000000e-15 3.219646771412954e-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 2.664535259100376e-15 PASS
Dipole [step 20] -2.215781015847280e+00 -2.215781015847290e+00 2.220000000000000e-14 9.769962616701378e-15 PASS
Compare to other inputs