Input 01-propagators.06-aetrs.inp

Commits > Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e > Run intel_omp_autotools: [intel2022a-serial]

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.060686608766760e+01 -1.060686608766762e+01 1.060000000000000e-13 1.598721155460225e-14 PASS
Energy [step 20] -1.060637353666411e+01 -1.060637353666412e+01 1.060000000000000e-13 5.329070518200751e-15 PASS
Multipoles [step 0] 1.416870527154446e-15 1.824331091466839e-16 4.490000000000000e-15 1.234437418007762e-15 PASS
Multipoles [step 20] -1.265509663990605e-01 -1.265509663990613e-01 4.000000000000000e-15 8.049116928532385e-16 PASS
Forces [step 0] 8.537673799433509e-02 8.537673799433354e-02 1.250000000000000e-14 1.554312234475219e-15 PASS
Forces [step 20] 7.966840852244506e-02 7.966840852244794e-02 8.059999999999999e-15 -2.886579864025407e-15 PASS
Compare to other inputs