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

Commits > Commit 1f10c93c74388b17aea6526c581521be8cd6aa14 > Run spack_foss-2022a_cuda_mpi_omp

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058495024056697e+01 -1.058495024056696e+01 1.060000000000000e-13 -1.421085471520200e-14 PASS
Energy [step 5] -1.042955032652507e+01 -1.042955032652510e+01 5.210000000000000e-13 2.486899575160351e-14 PASS
Energy [step 10] -1.042953043332983e+01 -1.042953043332980e+01 5.210000000000000e-13 -2.664535259100376e-14 PASS
Energy [step 15] -1.042951704575812e+01 -1.042951704575810e+01 5.210000000000000e-13 -1.953992523340276e-14 PASS
Energy [step 20] -1.042950992989120e+01 -1.042950992989120e+01 5.210000000000000e-14 3.552713678800501e-15 PASS
Dipole [step 1] -5.291540643159731e-15 1.494990959640600e-16 6.600000000000000e-15 -5.441039739123791e-15 PASS
Dipole [step 5] -7.296268646591318e-01 -7.296268646591400e-01 3.650000000000000e-14 8.104628079763643e-15 PASS
Dipole [step 10] -1.339614999322745e+00 -1.339614999322740e+00 1.100000000000000e-14 -4.884981308350689e-15 PASS
Dipole [step 15] -1.834337869774248e+00 -1.834337869774243e+00 1.830000000000000e-14 -4.662936703425657e-15 PASS
Dipole [step 20] -2.215787801056112e+00 -2.215787801056108e+00 2.220000000000000e-14 -4.440892098500626e-15 PASS
Compare to other inputs