Input 32-tdpcm_methane.02-td_prop_neq.inp

Commits > Commit 917d830e9234ff154f8a96d6b6c157a89a03a450 > Run foss_mpi_debug_autotools: [foss2023a-mpi]

Matches

Name Value Reference Precision Difference Status
M-solvent int. energy @ t=0 -1.501569625170983e-02 -1.495587719231000e-02 1.000000000000000e-04 -5.981905939982796e-05 PASS
M-solvent int. energy @ t=21*dt -1.508530737275053e-02 -1.502584992053000e-02 1.000000000000000e-04 -5.945745222053246e-05 PASS
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