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

Commits > Commit 3186a8a51be7ad5a27ccff6e8e2901df0a16a559 > Run spack_foss-2022a_cuda_mpi_omp

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058497392618079e+01 -1.058497392618078e+01 1.060000000000000e-13 -5.329070518200751e-15 PASS
Energy [step 5] -1.042957396714842e+01 -1.042957396714843e+01 1.040000000000000e-13 1.421085471520200e-14 PASS
Energy [step 10] -1.042955407412301e+01 -1.042955407412301e+01 1.040000000000000e-13 3.552713678800501e-15 PASS
Energy [step 15] -1.042954068676078e+01 -1.042954068676079e+01 1.040000000000000e-13 1.421085471520200e-14 PASS
Energy [step 20] -1.042953357117195e+01 -1.042953357117197e+01 1.040000000000000e-13 1.953992523340276e-14 PASS
Dipole [step 1] -2.622901895676932e-15 1.780638116610150e-16 6.600000000000000e-15 -2.800965707337947e-15 PASS
Dipole [step 5] -7.296259873396711e-01 -7.296259873396698e-01 7.300000000000000e-15 -1.332267629550188e-15 PASS
Dipole [step 10] -1.339612194748668e+00 -1.339612194748670e+00 1.340000000000000e-14 1.554312234475219e-15 PASS
Dipole [step 15] -1.834332930312642e+00 -1.834332930312640e+00 9.170000000000000e-14 -1.998401444325282e-15 PASS
Dipole [step 20] -2.215781015847301e+00 -2.215781015847290e+00 2.220000000000000e-14 -1.110223024625157e-14 PASS
Compare to other inputs