Input 32-tdpcm_methane.02-td_prop_neq.inp

Commits > Commit 22a7b3628f7ddff53691f80b422d9224cf7a2498 > Run spack_foss-2022a_cuda_mpi_omp

Matches

Name Value Reference Precision Difference Status
M-solvent int. energy @ t=0 -1.501578001369270e-02 -1.495587719231000e-02 1.000000000000000e-04 -5.990282138269680e-05 PASS
M-solvent int. energy @ t=21*dt -1.508539158025671e-02 -1.502584992053000e-02 1.000000000000000e-04 -5.954165972671052e-05 PASS
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