Input 12-electronic_subsystem_propagators.03-aetrs.inp

Commits > Commit 4ba99df89cd19114311b0fcb367f44d4f4e26fb8 > Run foss-mpi-min: [foss2022a-mpi]

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.060686608766763e+01 -1.060686608766760e+01 1.060000000000000e-13 -3.019806626980426e-14 PASS
Energy [step 20] -1.060637197121569e+01 -1.060637197121568e+01 1.060000000000000e-13 -1.243449787580175e-14 PASS
Multipoles [step 0] 3.421849046789886e-15 0.000000000000000e+00 5.000000000000000e-15 3.421849046789886e-15 PASS
Multipoles [step 20] -1.265533510651992e-01 -1.265533510652042e-01 5.070000000000000e-15 4.996003610813204e-15 PASS
Compare to other inputs