Input 01-propagators.05-etrs_chebyshev.inp

Commits > Commit 1bf2bc61d0085049d6bd7294e2825d85d95584e0 > Run cuda-mpi-omp: [foss2022a-cuda-mpi]

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.060686608766761e+01 -1.060686608766761e+01 1.060000000000000e-13 -3.552713678800501e-15 PASS
Energy [step 20] -1.060638479805073e+01 -1.060638479805075e+01 1.060000000000000e-13 1.776356839400250e-14 PASS
Multipoles [step 0] 3.669018214247366e-16 0.000000000000000e+00 1.000000000000000e-14 3.669018214247366e-16 PASS
Multipoles [step 20] -1.269180738429551e-01 -1.269180738429604e-01 1.000000000000000e-14 5.301314942585122e-15 PASS
Forces [step 0] 8.537673799433643e-02 8.537673799433310e-02 1.000000000000000e-14 3.330669073875470e-15 PASS
Forces [step 20] 7.982464236113396e-02 7.982464236112929e-02 1.000000000000000e-14 4.662936703425657e-15 PASS
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