Input 32-tdpcm_methane.02-td_prop_neq.inp

Commits > Commit 4b352e935e46a8a54466f41d4a7740fced1b16fc > Run spack_foss-2022a_serial_debug

Matches

Name Value Reference Precision Difference Status
M-solvent int. energy @ t=0 -1.501578001386188e-02 -1.495587719231000e-02 1.000000000000000e-04 -5.990282155187744e-05 PASS
M-solvent int. energy @ t=21*dt -1.508539158013587e-02 -1.502584992053000e-02 1.000000000000000e-04 -5.954165960586622e-05 PASS
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