Input 01-propagators.06-aetrs.inp
Commits >
Commit bb161c2d0107cec853e686df3a469ebc444968d7 >
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 | 2.080000000000000e-15 | 8.049116928532385e-16 | PASS |
Forces [step 0] | 8.537673799433509e-02 | 8.537673799433354e-02 | 5.130000000000000e-15 | 1.554312234475219e-15 | PASS |
Forces [step 20] | 7.966840852244506e-02 | 7.966840852244794e-02 | 4.150000000000000e-15 | -2.886579864025407e-15 | PASS |