Input 12-electronic_subsystem_propagators.03-aetrs.inp

Commits > Commit f2f698c8a25f386898063905e7c5eb25847969e0 > Run spack_foss-2022a_serial_omp

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.060684240205381e+01 -1.060684240205380e+01 5.000000000000000e-13 -1.421085471520200e-14 PASS
Energy [step 20] -1.060634826182158e+01 -1.060634826182150e+01 5.000000000000000e-13 -7.993605777301127e-14 PASS
Multipoles [step 0] 1.714113226358727e-15 0.000000000000000e+00 5.000000000000000e-15 1.714113226358727e-15 PASS
Multipoles [step 20] -1.265537671052350e-01 -1.265537671052304e-01 5.000000000000000e-14 -4.635181127810029e-15 PASS
Compare to other inputs