Input 01-propagators.05-etrs_chebyshev.inp
Commits >
Commit eddb1a976bbe1f1b2f6bb64793dd776e6572a2b5 >
Run intel_mpi_autotools: [intel2023a-mpi]
Matches
Name | Value | Reference | Precision | Difference | Status |
Energy [step 0] | -1.060686608766765e+01 | -1.060686608766761e+01 | 1.060000000000000e-13 | -3.907985046680551e-14 | PASS |
Energy [step 20] | -1.060638479805075e+01 | -1.060638479805075e+01 | 1.060000000000000e-13 | 3.552713678800501e-15 | PASS |
Multipoles [step 0] | 3.112326680556297e-15 | 0.000000000000000e+00 | 1.000000000000000e-14 | 3.112326680556297e-15 | PASS |
Multipoles [step 20] | -1.269180738429586e-01 | -1.269180738429604e-01 | 1.000000000000000e-14 | 1.831867990631508e-15 | PASS |
Forces [step 0] | 8.537673799433243e-02 | 8.537673799433310e-02 | 1.000000000000000e-14 | -6.661338147750939e-16 | PASS |
Forces [step 20] | 7.982464236113129e-02 | 7.982464236112929e-02 | 1.000000000000000e-14 | 1.998401444325282e-15 | PASS |