Input 32-tdpcm_methane.02-td_prop_neq.inp

Commits > Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc > Run foss-min-parallel: [foss2023b-mpi]

Matches

Name Value Reference Precision Difference Status
M-solvent int. energy @ t=0 -1.501569625163732e-02 -1.495587719231000e-02 1.000000000000000e-04 -5.981905932732172e-05 PASS
M-solvent int. energy @ t=21*dt -1.508530737277470e-02 -1.502584992053000e-02 1.000000000000000e-04 -5.945745224470063e-05 PASS
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