Input 12-electronic_subsystem_propagators.03-aetrs.inp

Commits > Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc > Run ppc: [foss2023a-serial]

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.060686608766757e+01 -1.060686608766760e+01 1.060000000000000e-13 3.197442310920451e-14 PASS
Energy [step 20] -1.060637197121567e+01 -1.060637197121568e+01 1.060000000000000e-13 1.243449787580175e-14 PASS
Multipoles [step 0] 2.205042118135717e-15 0.000000000000000e+00 5.000000000000000e-15 2.205042118135717e-15 PASS
Multipoles [step 20] -1.265533510651990e-01 -1.265533510652018e-01 3.540000000000000e-15 2.831068712794149e-15 PASS
Compare to other inputs