Input 32-tdpcm_methane.02-td_prop_neq.inp

Commits > Commit dd0acda4415b0ab64c529ca4a26922f9782edb94 > Run spack_foss-2022a_cuda_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 -1.508530737267803e-02 -1.502584992053000e-02 1.000000000000000e-04 -5.945745214802622e-05 PASS
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