Input 15-crank_nicolson.04-freeze_states.inp
Commits >
Commit eddb1a976bbe1f1b2f6bb64793dd776e6572a2b5 >
Run foss-serial-full: [foss2023b-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.022657179873567e+01 | -1.022657179873567e+01 | 1.020000000000000e-13 | 0.000000000000000e+00 | PASS |
| Energy [step 5] | -1.014067705119931e+01 | -1.014067705119932e+01 | 1.010000000000000e-13 | 8.881784197001252e-15 | PASS |
| Energy [step 10] | -1.013381790798761e+01 | -1.013381790798763e+01 | 1.010000000000000e-13 | 1.776356839400250e-14 | PASS |
| Energy [step 15] | -1.012563491015763e+01 | -1.012563491015765e+01 | 1.010000000000000e-13 | 1.953992523340276e-14 | PASS |
| Energy [step 20] | -1.011739812323844e+01 | -1.011739812323845e+01 | 1.010000000000000e-13 | 1.065814103640150e-14 | PASS |
| Dipole [step 1] | 8.683435440419613e-16 | -1.039108394869460e-15 | 5.830000000000000e-15 | 1.907451938911421e-15 | PASS |
| Dipole [step 5] | -3.955586853259894e-01 | -3.955586853259905e-01 | 6.110000000000000e-15 | 1.054711873393899e-15 | PASS |
| Dipole [step 10] | -7.406750729061523e-01 | -7.406750729061549e-01 | 7.410000000000000e-15 | 2.553512956637860e-15 | PASS |
| Dipole [step 15] | -1.039084057464594e+00 | -1.039084057464601e+00 | 1.140000000000000e-14 | 7.327471962526033e-15 | PASS |
| Dipole [step 20] | -1.295829936532783e+00 | -1.295829936532780e+00 | 1.300000000000000e-14 | -2.664535259100376e-15 | PASS |