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

Commits > Commit a52301560213e3c8fdab44f55dc98126fab73840 > Run spack_foss-2022a_cuda_mpi_omp

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058497392618078e+01 -1.058497392618078e+01 1.060000000000000e-13 1.776356839400250e-15 PASS
Energy [step 5] -1.042957396714843e+01 -1.042957396714843e+01 1.040000000000000e-13 1.776356839400250e-15 PASS
Energy [step 10] -1.042955407412301e+01 -1.042955407412301e+01 1.040000000000000e-13 1.776356839400250e-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 1.776356839400250e-14 PASS
Dipole [step 1] -2.690043500452877e-15 1.494990959640600e-16 6.600000000000000e-15 -2.839542596416937e-15 PASS
Dipole [step 5] -7.296259873396704e-01 -7.296259873396693e-01 7.300000000000000e-15 -1.110223024625157e-15 PASS
Dipole [step 10] -1.339612194748666e+00 -1.339612194748668e+00 1.340000000000000e-14 1.776356839400250e-15 PASS
Dipole [step 15] -1.834332930312647e+00 -1.834332930312640e+00 9.170000000000000e-14 -6.883382752675971e-15 PASS
Dipole [step 20] -2.215781015847301e+00 -2.215781015847290e+00 2.220000000000000e-14 -1.154631945610163e-14 PASS
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