Input 32-tdpcm_methane.03-td_prop_eom.inp

Commits > Commit ee11de90c734467b7aebfc32d0117fe9ec1eea84 > Run spack_foss-2023a_mpi_debug

Matches

Name Value Reference Precision Difference Status
M-solvent int. energy @ t=0 -1.501578001386188e-02 -1.495587625573000e-02 1.000000000000000e-04 -5.990375813187850e-05 PASS
M-solvent int. energy @ t=21*dt -1.508541481006526e-02 -1.502587164251000e-02 1.000000000000000e-04 -5.954316755526524e-05 PASS
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