Input 12-electronic_subsystem_propagators.03-aetrs.inp

Commits > Commit 3d047708c1ab8d71894fb240c9b3cff2ecebd198 > Run valgrind: [foss2023a-serial]

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.060686608766759e+01 -1.060686608766760e+01 1.060000000000000e-13 1.065814103640150e-14 PASS
Energy [step 20] -1.060637197121569e+01 -1.060637197121568e+01 1.060000000000000e-13 -1.065814103640150e-14 PASS
Multipoles [step 0] -1.313757147503296e-15 0.000000000000000e+00 5.000000000000000e-15 -1.313757147503296e-15 PASS
Multipoles [step 20] -1.265533510651913e-01 -1.265533510651940e-01 1.310000000000000e-14 2.664535259100376e-15 PASS
Compare to other inputs