Input 32-tdpcm_methane.03-td_prop_eom.inp

Commits > Commit 94d58911903c32860449c62a795f2d74d19217f9 > Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]

Matches

Name Value Reference Precision Difference Status
M-solvent int. energy @ t=0 -1.501569625137147e-02 -1.495587625573000e-02 1.000000000000000e-04 -5.981999564146773e-05 PASS
M-solvent int. energy @ t=21*dt -1.508533060258326e-02 -1.502587164251000e-02 1.000000000000000e-04 -5.945896007325709e-05 PASS
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