Input 01-propagators.05-etrs_chebyshev.inp

Commits > Commit 3186a8a51be7ad5a27ccff6e8e2901df0a16a559 > Run spack_foss-2023a_valgrind

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.060686608766760e+01 -1.060686608766762e+01 1.060000000000000e-13 1.421085471520200e-14 PASS
Energy [step 20] -1.059306110576122e+01 -1.059306110576122e+01 1.060000000000000e-13 0.000000000000000e+00 PASS
Multipoles [step 0] -1.201356031256713e-15 1.824331091466839e-16 4.490000000000000e-15 -1.383789140403397e-15 PASS
Multipoles [step 20] -1.269354346362630e-01 -1.269354346362595e-01 3.850000000000000e-15 -3.497202527569243e-15 PASS
Forces [step 0] 8.537673799432888e-02 8.537673799433354e-02 5.130000000000000e-15 -4.662936703425657e-15 PASS
Forces [step 20] 7.713299237647808e-02 7.713299237647830e-02 3.860000000000000e-15 -2.220446049250313e-16 PASS
Compare to other inputs