Input 29-pcm_chlorine_anion.02-td_prop-n60.inp

Commits > Commit f4bc596bdcf3afff33b833944576bfd5457df1bc > Run foss-mpi-opt-full: [foss2023a-mpi]

Matches

Name Value Reference Precision Difference Status
M-solvent int. energy @ t=0 -3.216045980687031e+00 -3.216045980686861e+00 3.190000000000000e-13 -1.696420781627239e-13 PASS
M-solvent int. energy @ t=5*dt -3.216045980698704e+00 -3.215406787112854e+00 1.000000000000000e+00 -6.391935858500730e-04 PASS
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