Input 01-propagators.04-etrs_lanczos.inp

Commits > Commit 968a3ff7080ffa1f89f08d37efc7416527769dec > Run foss_autotools: [foss2023b-serial]

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.060686608766760e+01 -1.060686608766762e+01 1.060000000000000e-13 1.776356839400250e-14 PASS
Energy [step 20] -1.060637200596972e+01 -1.060637200596971e+01 1.060000000000000e-13 -8.881784197001252e-15 PASS
Multipoles [step 0] 4.267685692143329e-15 1.824331091466839e-16 4.490000000000000e-15 4.085252582996645e-15 PASS
Multipoles [step 20] -1.265864295118096e-01 -1.265864295118192e-01 4.360000000000000e-14 9.603429163007604e-15 PASS
Forces [step 0] 8.537673799433643e-02 8.537673799433354e-02 1.250000000000000e-14 2.886579864025407e-15 PASS
Forces [step 20] 7.967423673801033e-02 7.967423673803031e-02 4.640000000000000e-14 -1.998401444325282e-14 PASS
Compare to other inputs