Input 32-tdpcm_methane.03-td_prop_eom.inp

Commits > Commit f22bb0bcca4b53614d336c5e83de089ff68b1baa > Run foss-cmake-zen4: [foss2023a-serial, ci-foss-min]

Matches

Name Value Reference Precision Difference Status
M-solvent int. energy @ t=0 -1.501569625141981e-02 -1.495587625573000e-02 1.000000000000000e-04 -5.981999568980580e-05 PASS
M-solvent int. energy @ t=21*dt -1.508533060258326e-02 -1.502587164251000e-02 1.000000000000000e-04 -5.945896007325709e-05 PASS
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