Input 32-tdpcm_methane.02-td_prop_neq.inp

Commits > Commit 17b096911440bfe83ad69af07734b73ecc024f80 > Run spack_intel-2023a_serial

Matches

Name Value Reference Precision Difference Status
M-solvent int. energy @ t=0 -1.501578001364436e-02 -1.495587719231000e-02 1.000000000000000e-04 -5.990282133436046e-05 PASS
M-solvent int. energy @ t=21*dt -1.508539158025671e-02 -1.502584992053000e-02 1.000000000000000e-04 -5.954165972671052e-05 PASS
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