Input 32-tdpcm_methane.02-td_prop_neq.inp

Commits > Commit b1773e3237a9e3fe1d68ecd7146c17ebbd95a961 > Run cmake_foss_2022a_min_mpi

Matches

Name Value Reference Precision Difference Status
M-solvent int. energy @ t=0 -1.501569625185484e-02 -1.495587719231000e-02 1.000000000000000e-04 -5.981905954483870e-05 PASS
M-solvent int. energy @ t=21*dt -1.508530737277470e-02 -1.502584992053000e-02 1.000000000000000e-04 -5.945745224470063e-05 PASS
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