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

Commits > Commit 45adf9b0e5ec0c590d65885bc40efffc0d377767 > Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]

Matches

Name Value Reference Precision Difference Status
M-solvent int. energy @ t=0 -3.216045980686837e+00 -3.216045980686861e+00 3.190000000000000e-13 2.398081733190338e-14 PASS
M-solvent int. energy @ t=5*dt -3.216045980698849e+00 -3.215406787112854e+00 1.000000000000000e+00 -6.391935859948461e-04 PASS
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