Input 32-tdpcm_methane.02-td_prop_neq.inp

Commits > Commit 6186e1f92bb6a84e4a2e679736ea9db4d0c9eca5 > Run spack_intel-2022a_impi_omp

Matches

Name Value Reference Precision Difference Status
M-solvent int. energy @ t=0 -1.501578001359602e-02 -1.495587719231000e-02 1.000000000000000e-04 -5.990282128602240e-05 PASS
M-solvent int. energy @ t=21*dt -1.508539158018420e-02 -1.502584992053000e-02 1.000000000000000e-04 -5.954165965420428e-05 PASS
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