Input 32-tdpcm_methane.02-td_prop_neq.inp

Commits > Commit 4ba99df89cd19114311b0fcb367f44d4f4e26fb8 > Run cuda-mpi-omp: [foss2022a-cuda-mpi]

Matches

Name Value Reference Precision Difference Status
M-solvent int. energy @ t=0 -1.501569625168566e-02 -1.495587719231000e-02 1.000000000000000e-04 -5.981905937565805e-05 PASS
M-solvent int. energy @ t=21*dt -1.508530737270220e-02 -1.502584992053000e-02 1.000000000000000e-04 -5.945745217219613e-05 PASS
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