Input 32-tdpcm_methane.02-td_prop_neq.inp

Commits > Commit daa93de2f371acc02c8ba320d7b5759725cfd1f4 > Run foss-2022a_opt

Matches

Name Value Reference Precision Difference Status
M-solvent int. energy @ t=0 -1.501578001391021e-02 -1.495587719231000e-02 1.000000000000000e-04 -5.990282160021378e-05 PASS
M-solvent int. energy @ t=21*dt -1.508539158023254e-02 -1.502584992053000e-02 1.000000000000000e-04 -5.954165970254062e-05 PASS
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