Input 32-tdpcm_methane.02-td_prop_neq.inp

Commits > Commit 97b4f3224f9be7c1ae7006b6639b45be6cefbdcd > Run cmake_foss_2022a_min_mpi

Matches

Name Value Reference Precision Difference Status
M-solvent int. energy @ t=0 -1.501578001381354e-02 -1.495587719231000e-02 1.000000000000000e-04 -5.990282150353937e-05 PASS
M-solvent int. energy @ t=21*dt -1.508539158023254e-02 -1.502584992053000e-02 1.000000000000000e-04 -5.954165970254062e-05 PASS
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