Input 15-crank_nicolson.04-freeze_states.inp

Commits > Commit babc485c55a2119a415aa56305cb49f398154cb7 > Run spack_foss-2022a_serial_opt

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.022654035874428e+01 -1.022654035874430e+01 5.110000000000000e-13 1.598721155460225e-14 PASS
Energy [step 5] -1.014064572817562e+01 -1.014064572817560e+01 5.070000000000000e-14 -2.486899575160351e-14 PASS
Energy [step 10] -1.013378662931815e+01 -1.013378662931820e+01 5.070000000000000e-13 5.151434834260726e-14 PASS
Energy [step 15] -1.012560361793022e+01 -1.012560361792900e+01 5.060000000000000e-12 -1.223909862346773e-12 PASS
Energy [step 20] -1.011736675688520e+01 -1.011736675688520e+01 5.060000000000000e-13 -3.552713678800501e-15 PASS
Dipole [step 1] -4.442585825581956e-15 -1.039108394869460e-15 4.600000000000000e-15 -3.403477430712496e-15 PASS
Dipole [step 5] -3.955589211257121e-01 -3.955589211257070e-01 1.980000000000000e-14 -5.107025913275720e-15 PASS
Dipole [step 10] -7.406769413990228e-01 -7.406769413990340e-01 3.700000000000000e-14 1.110223024625157e-14 PASS
Dipole [step 15] -1.039087772402139e+00 -1.039087772402140e+00 5.200000000000000e-14 8.881784197001252e-16 PASS
Dipole [step 20] -1.295835165527728e+00 -1.295835165527720e+00 6.480000000000000e-14 -8.215650382226158e-15 PASS
Compare to other inputs