Input 15-crank_nicolson.04-freeze_states.inp
Commits >
Commit c9606f298ccf4e57d14167459d26815f7508aa3e >
Run foss_min_autotools: [foss2023b-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.022657179873567e+01 | -1.022657179873567e+01 | 1.020000000000000e-13 | -3.552713678800501e-15 | PASS |
| Energy [step 5] | -1.014067705119932e+01 | -1.014067705119932e+01 | 1.010000000000000e-13 | 3.552713678800501e-15 | PASS |
| Energy [step 10] | -1.013381790798762e+01 | -1.013381790798763e+01 | 1.010000000000000e-13 | 1.243449787580175e-14 | PASS |
| Energy [step 15] | -1.012563491015763e+01 | -1.012563491015765e+01 | 1.010000000000000e-13 | 2.309263891220326e-14 | PASS |
| Energy [step 20] | -1.011739812323843e+01 | -1.011739812323845e+01 | 1.010000000000000e-13 | 1.953992523340276e-14 | PASS |
| Dipole [step 1] | -3.981190743285006e-15 | -1.039108394869460e-15 | 5.830000000000000e-15 | -2.942082348415546e-15 | PASS |
| Dipole [step 5] | -3.955586853259948e-01 | -3.955586853259905e-01 | 6.110000000000000e-15 | -4.274358644806853e-15 | PASS |
| Dipole [step 10] | -7.406750729061560e-01 | -7.406750729061549e-01 | 7.410000000000000e-15 | -1.110223024625157e-15 | PASS |
| Dipole [step 15] | -1.039084057464596e+00 | -1.039084057464601e+00 | 1.140000000000000e-14 | 4.662936703425657e-15 | PASS |
| Dipole [step 20] | -1.295829936532783e+00 | -1.295829936532780e+00 | 1.300000000000000e-14 | -3.330669073875470e-15 | PASS |