Input 12-electronic_subsystem_propagators.03-aetrs.inp

Commits > Commit 6186e1f92bb6a84e4a2e679736ea9db4d0c9eca5 > Run spack_intel-2022a_serial_omp

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.060684240205383e+01 -1.060684240205380e+01 5.000000000000000e-13 -3.197442310920451e-14 PASS
Energy [step 20] -1.060634826182157e+01 -1.060634826182150e+01 5.000000000000000e-13 -7.105427357601002e-14 PASS
Multipoles [step 0] 3.536725599884161e-15 0.000000000000000e+00 5.000000000000000e-15 3.536725599884161e-15 PASS
Multipoles [step 20] -1.265537671052331e-01 -1.265537671052304e-01 5.000000000000000e-14 -2.747801985947262e-15 PASS
Compare to other inputs