Input 06-caetrs.03-kick-tp1.inp

Commits > Commit bb161c2d0107cec853e686df3a469ebc444968d7 > Run intel_mpi_omp_autotools: [intel2022a-mpi]

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058497392618080e+01 -1.058497392618078e+01 1.060000000000000e-13 -1.598721155460225e-14 PASS
Energy [step 5] -1.042957396714844e+01 -1.042957396714843e+01 1.040000000000000e-13 -7.105427357601002e-15 PASS
Energy [step 10] -1.042955407412302e+01 -1.042955407412301e+01 1.040000000000000e-13 -1.065814103640150e-14 PASS
Energy [step 15] -1.042954068676079e+01 -1.042954068676079e+01 1.040000000000000e-13 -3.552713678800501e-15 PASS
Energy [step 20] -1.042953357117197e+01 -1.042953357117197e+01 1.040000000000000e-13 1.776356839400250e-15 PASS
Dipole [step 1] 4.492933802779930e-15 1.780638116610150e-16 6.600000000000000e-15 4.314869991118915e-15 PASS
Dipole [step 5] -7.296259873396638e-01 -7.296259873396698e-01 7.300000000000000e-15 5.995204332975845e-15 PASS
Dipole [step 10] -1.339612194748660e+00 -1.339612194748670e+00 1.340000000000000e-14 9.769962616701378e-15 PASS
Dipole [step 15] -1.834332930312634e+00 -1.834332930312640e+00 9.170000000000000e-14 5.995204332975845e-15 PASS
Dipole [step 20] -2.215781015847293e+00 -2.215781015847290e+00 2.220000000000000e-14 -2.664535259100376e-15 PASS
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