Input 01-propagators.06-aetrs.inp

Commits > Commit a52301560213e3c8fdab44f55dc98126fab73840 > Run spack_foss-2023a_mpi

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.060686608766763e+01 -1.060686608766762e+01 1.060000000000000e-13 -7.105427357601002e-15 PASS
Energy [step 20] -1.060637353666412e+01 -1.060637353666412e+01 1.060000000000000e-13 -1.776356839400250e-15 PASS
Multipoles [step 0] -3.735878793820202e-17 1.824331091466839e-16 4.490000000000000e-15 -2.197918970848859e-16 PASS
Multipoles [step 20] -1.265509663990620e-01 -1.265509663990613e-01 2.080000000000000e-15 -7.494005416219807e-16 PASS
Forces [step 0] 8.537673799433465e-02 8.537673799433354e-02 5.130000000000000e-15 1.110223024625157e-15 PASS
Forces [step 20] 7.966840852244550e-02 7.966840852244794e-02 4.150000000000000e-15 -2.442490654175344e-15 PASS
Compare to other inputs