Input 32-tdpcm_methane.02-td_prop_neq.inp

Commits > Commit 9a893b9dbe73f1d3f49cd24e2707361da541a5ca > Run cuda: [foss2022a-cuda-mpi, ci-foss-full-cuda]

Matches

Name Value Reference Precision Difference Status
M-solvent int. energy @ t=0 -1.501569625151648e-02 -1.495587719231000e-02 1.000000000000000e-04 -5.981905920647915e-05 PASS
M-solvent int. energy @ t=21*dt -1.508530737265386e-02 -1.502584992053000e-02 1.000000000000000e-04 -5.945745212385806e-05 PASS
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