Input 32-tdpcm_methane.02-td_prop_neq.inp

Commits > Commit c7ac96946c926bee5c46ca4221093c1f60753f5a > Run spack_foss-2023a_mpi_omp

Matches

Name Value Reference Precision Difference Status
M-solvent int. energy @ t=0 -1.501578001376520e-02 -1.495587719231000e-02 1.000000000000000e-04 -5.990282145520304e-05 PASS
M-solvent int. energy @ t=21*dt -1.508539158018420e-02 -1.502584992053000e-02 1.000000000000000e-04 -5.954165965420428e-05 PASS
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