Input 32-tdpcm_methane.03-td_prop_eom.inp

Commits > Commit bb161c2d0107cec853e686df3a469ebc444968d7 > Run intel_mpi_omp_autotools: [intel2022a-mpi]

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 -1.508533060253492e-02 -1.502587164251000e-02 1.000000000000000e-04 -5.945896002491902e-05 PASS
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