Input 32-tdpcm_methane.03-td_prop_eom.inp

Commits > Commit 85779d3dd9ec6e18544835020e079bae8c405b87 > Run spack_intel-2023a_impi

Matches

Name Value Reference Precision Difference Status
M-solvent int. energy @ t=0 -1.501578001383771e-02 -1.495587625573000e-02 1.000000000000000e-04 -5.990375810771033e-05 PASS
M-solvent int. energy @ t=21*dt -1.508541481004110e-02 -1.502587164251000e-02 1.000000000000000e-04 -5.954316753109708e-05 PASS
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