Input 12-electronic_subsystem_propagators.03-aetrs.inp

Commits > Commit b7dcc99023940be2b83de00317ffa33e598f3f55 > Run foss_opt_autotools: [foss2023a-serial]

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.060686608766759e+01 -1.060686608766760e+01 1.060000000000000e-13 1.243449787580175e-14 PASS
Energy [step 20] -1.060637197121568e+01 -1.060637197121568e+01 1.060000000000000e-13 -1.776356839400250e-15 PASS
Multipoles [step 0] 1.116835871830743e-15 0.000000000000000e+00 5.000000000000000e-15 1.116835871830743e-15 PASS
Multipoles [step 20] -1.265533510652006e-01 -1.265533510652018e-01 3.540000000000000e-15 1.193489751472043e-15 PASS
Compare to other inputs