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

Commits > Commit 3186a8a51be7ad5a27ccff6e8e2901df0a16a559 > Run spack_foss-2022a_mpi_min

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058497392618079e+01 -1.058497392618078e+01 1.060000000000000e-13 -7.105427357601002e-15 PASS
Energy [step 5] -1.042957396714843e+01 -1.042957396714843e+01 1.040000000000000e-13 0.000000000000000e+00 PASS
Energy [step 10] -1.042955407412301e+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] -1.042953357117196e+01 -1.042953357117197e+01 1.040000000000000e-13 7.105427357601002e-15 PASS
Dipole [step 1] 1.727784582072900e-15 1.780638116610150e-16 6.600000000000000e-15 1.549720770411885e-15 PASS
Dipole [step 5] -7.296259873396660e-01 -7.296259873396698e-01 7.300000000000000e-15 3.774758283725532e-15 PASS
Dipole [step 10] -1.339612194748662e+00 -1.339612194748670e+00 1.340000000000000e-14 7.993605777301127e-15 PASS
Dipole [step 15] -1.834332930312636e+00 -1.834332930312640e+00 9.170000000000000e-14 3.552713678800501e-15 PASS
Dipole [step 20] -2.215781015847297e+00 -2.215781015847290e+00 2.220000000000000e-14 -7.549516567451064e-15 PASS
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