Input 32-tdpcm_methane.02-td_prop_neq.inp

Commits > Commit 8520a932a983b5c1584256e5aef0dad9a7dbc2f2 > Run spack_foss-2022a_serial_omp

Matches

Name Value Reference Precision Difference Status
M-solvent int. energy @ t=0 -1.501578001381354e-02 -1.495587719231000e-02 1.000000000000000e-04 -5.990282150353937e-05 PASS
M-solvent int. energy @ t=21*dt -1.508539158020837e-02 -1.502584992053000e-02 1.000000000000000e-04 -5.954165967837245e-05 PASS
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