Input 32-tdpcm_methane.02-td_prop_neq.inp

Commits > Commit 0eb882d93dcc47f8554e98f5f256d6c6053dae9c > Run cmake_foss_2022a_full_mpi

Matches

Name Value Reference Precision Difference Status
M-solvent int. energy @ t=0 -1.501578001369270e-02 -1.495587719231000e-02 1.000000000000000e-04 -5.990282138269680e-05 PASS
M-solvent int. energy @ t=21*dt -1.508539158028088e-02 -1.502584992053000e-02 1.000000000000000e-04 -5.954165975087869e-05 PASS
Compare to other inputs