Input 32-tdpcm_methane.02-td_prop_neq.inp

Commits > Commit 701869cc1eb5c6c77a64efba9e1ed1058e4204f9 > Run ppc: [foss2023a-serial]

Matches

Name Value Reference Precision Difference Status
M-solvent int. energy @ t=0 -1.501569625149231e-02 -1.495587719231000e-02 1.000000000000000e-04 -5.981905918231098e-05 PASS
M-solvent int. energy @ t=21*dt -1.508530737272636e-02 -1.502584992053000e-02 1.000000000000000e-04 -5.945745219636429e-05 PASS
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