Input 12-electronic_subsystem_propagators.03-aetrs.inp

Commits > Commit 3d047708c1ab8d71894fb240c9b3cff2ecebd198 > 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 -3.197442310920451e-14 PASS
Energy [step 20] -1.060637197121569e+01 -1.060637197121568e+01 1.060000000000000e-13 -8.881784197001252e-15 PASS
Multipoles [step 0] -3.493322574569732e-16 0.000000000000000e+00 5.000000000000000e-15 -3.493322574569732e-16 PASS
Multipoles [step 20] -1.265533510652056e-01 -1.265533510651940e-01 1.310000000000000e-14 -1.157407503171726e-14 PASS
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