Input 32-tdpcm_methane.03-td_prop_eom.inp

Commits > Commit b5086f89e5ba3598cb2c5ef57ca1b3f99761e498 > Run cuda-mpi-omp: [foss2022a-cuda-mpi]

Matches

Name Value Reference Precision Difference Status
M-solvent int. energy @ t=0 -1.501569625161315e-02 -1.495587625573000e-02 1.000000000000000e-04 -5.981999588315461e-05 PASS
M-solvent int. energy @ t=21*dt -1.508533060251075e-02 -1.502587164251000e-02 1.000000000000000e-04 -5.945896000075085e-05 PASS
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