Input 06-caetrs.02-kick.inp

Commits > Commit b1773e3237a9e3fe1d68ecd7146c17ebbd95a961 > Run spack_intel-2023a_serial

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058497392618076e+01 -1.058497392618078e+01 1.060000000000000e-13 1.598721155460225e-14 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] -1.042954068676079e+01 -1.042954068676079e+01 1.040000000000000e-13 0.000000000000000e+00 PASS
Energy [step 20] -1.042953357117199e+01 -1.042953357117197e+01 1.040000000000000e-13 -1.598721155460225e-14 PASS
Dipole [step 1] 3.431364933403729e-15 1.780638116610150e-16 6.600000000000000e-15 3.253301121742714e-15 PASS
Dipole [step 5] -7.296259873396654e-01 -7.296259873396698e-01 7.300000000000000e-15 4.329869796038111e-15 PASS
Dipole [step 10] -1.339612194748670e+00 -1.339612194748670e+00 1.340000000000000e-14 -2.220446049250313e-16 PASS
Dipole [step 15] -1.834332930312635e+00 -1.834332930312640e+00 9.170000000000000e-14 5.329070518200751e-15 PASS
Dipole [step 20] -2.215781015847277e+00 -2.215781015847290e+00 2.220000000000000e-14 1.243449787580175e-14 PASS
Compare to other inputs