Input 32-tdpcm_methane.02-td_prop_neq.inp

Commits > Commit 995bec41f97239ed4859b75e5397558b96cd16ab > Run spack_foss-2022a_ppc

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 -1.508539158001502e-02 -1.502584992053000e-02 1.000000000000000e-04 -5.954165948502364e-05 PASS
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