Input 32-tdpcm_methane.02-td_prop_neq.inp

Commits > Commit bf0f47cf3302df97f9487d18148dd4e0cf599eb9 > Run foss-2022a_ppc

Matches

Name Value Reference Precision Difference Status
M-solvent int. energy @ t=0 -1.501578001371687e-02 -1.495587719231000e-02 1.000000000000000e-04 -5.990282140686670e-05 PASS
M-solvent int. energy @ t=21*dt -1.508539158006336e-02 -1.502584992053000e-02 1.000000000000000e-04 -5.954165953336171e-05 PASS
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