Input 01-propagators.06-aetrs.inp

Commits > Commit bb161c2d0107cec853e686df3a469ebc444968d7 > Run foss_omp_autotools: [foss2023a-serial]

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] -1.060637353666411e+01 -1.060637353666412e+01 1.060000000000000e-13 7.105427357601002e-15 PASS
Multipoles [step 0] 1.973967864166148e-16 1.824331091466839e-16 4.490000000000000e-15 1.496367726993094e-17 PASS
Multipoles [step 20] -1.265509663990621e-01 -1.265509663990613e-01 2.080000000000000e-15 -8.049116928532385e-16 PASS
Forces [step 0] 8.537673799433598e-02 8.537673799433354e-02 5.130000000000000e-15 2.442490654175344e-15 PASS
Forces [step 20] 7.966840852244506e-02 7.966840852244794e-02 4.150000000000000e-15 -2.886579864025407e-15 PASS
Compare to other inputs