Input 01-propagators.03-etrs_taylor.inp
Commits >
Commit efc44ae2259e56922145db535c825ce53e4127cb >
Run foss_cmake: [foss2023a-mpi, foss-full-mpi]
Matches
Name | Value | Reference | Precision | Difference | Status |
Energy [step 0] | -1.060686608766763e+01 | -1.060686608766762e+01 | 1.060000000000000e-13 | -7.105427357601002e-15 | PASS |
Energy [step 20] | -1.060637205318230e+01 | -1.060637205318229e+01 | 1.060000000000000e-13 | -8.881784197001252e-15 | PASS |
Multipoles [step 0] | 1.824339507586203e-15 | 5.879834888021430e-16 | 4.510000000000000e-15 | 1.236356018784060e-15 | PASS |
Multipoles [step 20] | -1.265536606512517e-01 | -1.265536606512539e-01 | 4.510000000000000e-15 | 2.164934898019055e-15 | PASS |
Forces [step 0] | 8.537673799433376e-02 | 8.537673799433354e-02 | 1.250000000000000e-14 | 2.220446049250313e-16 | PASS |
Forces [step 20] | 7.966960326023331e-02 | 7.966960326023198e-02 | 5.860000000000000e-15 | 1.332267629550188e-15 | PASS |