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

Commits > Commit 45adf9b0e5ec0c590d65885bc40efffc0d377767 > Run foss-mpi-min: [foss2022a-mpi]

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.056293727506792e+01 -1.056293727506791e+01 1.060000000000000e-13 -7.105427357601002e-15 PASS
Energy [step 5] -1.040745483159455e+01 -1.040745483159455e+01 1.040000000000000e-13 -1.776356839400250e-15 PASS
Energy [step 10] -1.040743417507013e+01 -1.040743417507012e+01 1.040000000000000e-13 -7.105427357601002e-15 PASS
Energy [step 15] -1.040742113639586e+01 -1.040742113639585e+01 1.040000000000000e-13 -1.065814103640150e-14 PASS
Energy [step 20] -1.040741451973633e+01 -1.040741451973633e+01 1.040000000000000e-13 -3.552713678800501e-15 PASS
Dipole [step 1] -1.660888223828372e-15 1.494990959640600e-16 6.600000000000000e-15 -1.810387319792432e-15 PASS
Dipole [step 5] -7.295426719525324e-01 -7.295426719525300e-01 3.650000000000000e-14 -2.442490654175344e-15 PASS
Dipole [step 10] -1.337803863058587e+00 -1.337803863058586e+00 1.340000000000000e-14 -1.110223024625157e-15 PASS
Dipole [step 15] -1.828601499014717e+00 -1.828601499014712e+00 1.830000000000000e-14 -5.107025913275720e-15 PASS
Dipole [step 20] -2.205209055720853e+00 -2.205209055720848e+00 2.210000000000000e-14 -4.440892098500626e-15 PASS
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