Input 01-propagators.06-aetrs.inp

Commits > Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc > Run autotools_intel_mpi_omp: [intel2023a-mpi]

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.060686608766762e+01 -1.060686608766762e+01 1.060000000000000e-13 -3.552713678800501e-15 PASS
Energy [step 20] -1.060637353666412e+01 -1.060637353666412e+01 1.060000000000000e-13 -3.552713678800501e-15 PASS
Multipoles [step 0] 1.716021855863170e-15 1.824331091466839e-16 4.490000000000000e-15 1.533588746716486e-15 PASS
Multipoles [step 20] -1.265509663990611e-01 -1.265509663990613e-01 4.000000000000000e-15 1.942890293094024e-16 PASS
Forces [step 0] 8.537673799433509e-02 8.537673799433354e-02 1.250000000000000e-14 1.554312234475219e-15 PASS
Forces [step 20] 7.966840852244639e-02 7.966840852244794e-02 8.059999999999999e-15 -1.554312234475219e-15 PASS
Compare to other inputs