Input 32-tdpcm_methane.03-td_prop_eom.inp

Commits > Commit 17b096911440bfe83ad69af07734b73ecc024f80 > Run spack_foss-2022a_cuda_mpi_omp

Matches

Name Value Reference Precision Difference Status
M-solvent int. energy @ t=0 -1.501578001369270e-02 -1.495587625573000e-02 1.000000000000000e-04 -5.990375796269785e-05 PASS
M-solvent int. energy @ t=21*dt -1.508541480989609e-02 -1.502587164251000e-02 1.000000000000000e-04 -5.954316738608634e-05 PASS
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