Input 32-tdpcm_methane.03-td_prop_eom.inp

Commits > Commit 8f782d5cf55620fdc67b764848371cb8de44e683 > Run spack_foss-2022a_mpi_min

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
Compare to other inputs