Input 32-tdpcm_methane.02-td_prop_neq.inp

Commits > Commit 6873b983d1904fe0612bd483f61737dd2d8ed971 > Run foss-omp-full: [foss2023a-serial]

Matches

Name Value Reference Precision Difference Status
M-solvent int. energy @ t=0 -1.501569625163732e-02 -1.495587719231000e-02 1.000000000000000e-04 -5.981905932732172e-05 PASS
M-solvent int. energy @ t=21*dt -1.508530737270220e-02 -1.502584992053000e-02 1.000000000000000e-04 -5.945745217219613e-05 PASS
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