Input 32-tdpcm_methane.03-td_prop_eom.inp

Commits > Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e > Run foss_mpi_omp_autotools: [foss2023a-mpi]

Matches

Name Value Reference Precision Difference Status
M-solvent int. energy @ t=0 -1.501569625168566e-02 -1.495587625573000e-02 1.000000000000000e-04 -5.981999595565911e-05 PASS
M-solvent int. energy @ t=21*dt -1.508533060255909e-02 -1.502587164251000e-02 1.000000000000000e-04 -5.945896004908892e-05 PASS
Compare to other inputs