Input 32-tdpcm_methane.03-td_prop_eom.inp

Commits > Commit af26893c7aa01c4d6db9b9440ccd945f9c92b2ee > Run spack_intel-2023a_serial_omp

Matches

Name Value Reference Precision Difference Status
M-solvent int. energy @ t=0 -1.501578001376520e-02 -1.495587625573000e-02 1.000000000000000e-04 -5.990375803520409e-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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