Input 15-crank_nicolson.04-freeze_states.inp

Commits > Commit 7368b0b20aad13e0ecfc3e36ba5b1a9f5c3d54b1 > Run spack_foss-2023a_serial_omp

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.022654035874431e+01 -1.022654035874430e+01 5.110000000000000e-13 -5.329070518200751e-15 PASS
Energy [step 5] -1.014064572817563e+01 -1.014064572817560e+01 5.070000000000000e-14 -3.019806626980426e-14 PASS
Energy [step 10] -1.013378662931815e+01 -1.013378662931820e+01 5.070000000000000e-13 5.329070518200751e-14 PASS
Energy [step 15] -1.012560361793023e+01 -1.012560361792900e+01 5.060000000000000e-12 -1.231015289704374e-12 PASS
Energy [step 20] -1.011736675688521e+01 -1.011736675688520e+01 5.060000000000000e-13 -7.105427357601002e-15 PASS
Dipole [step 1] -4.627411754100238e-15 -1.039108394869460e-15 3.830000000000000e-15 -3.588303359230778e-15 PASS
Dipole [step 5] -3.955589211257136e-01 -3.955589211257070e-01 1.980000000000000e-14 -6.550315845288424e-15 PASS
Dipole [step 10] -7.406769413990252e-01 -7.406769413990340e-01 3.700000000000000e-14 8.770761894538737e-15 PASS
Dipole [step 15] -1.039087772402140e+00 -1.039087772402140e+00 5.200000000000000e-14 0.000000000000000e+00 PASS
Dipole [step 20] -1.295835165527736e+00 -1.295835165527720e+00 6.480000000000000e-14 -1.576516694967722e-14 PASS
Compare to other inputs