Input 29-pcm_chlorine_anion.02-td_prop-n60.inp
Commits >
Commit dbbd967b788cdda4a2df74a46ac2e5066a09d99b >
Run intel_mpi_omp_autotools: [intel2022a-mpi]
Matches
Name | Value | Reference | Precision | Difference | Status |
M-solvent int. energy @ t=0 | -3.216045980686958e+00 | -3.216045980686861e+00 | 3.190000000000000e-13 | -9.681144774731365e-14 | PASS |
M-solvent int. energy @ t=5*dt | -3.216045980698849e+00 | -3.215406787112854e+00 | 1.000000000000000e+00 | -6.391935859948461e-04 | PASS |