Input 32-tdpcm_methane.03-td_prop_eom.inp

Commits > Commit 3186a8a51be7ad5a27ccff6e8e2901df0a16a559 > Run spack_foss-2023a_serial_omp

Matches

Name Value Reference Precision Difference Status
M-solvent int. energy @ t=0 -1.501569625166149e-02 -1.495587625573000e-02 1.000000000000000e-04 -5.981999593149094e-05 PASS
M-solvent int. energy @ t=21*dt -1.508533060263159e-02 -1.502587164251000e-02 1.000000000000000e-04 -5.945896012159342e-05 PASS
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