Input 29-pcm_chlorine_anion.02-td_prop-n60.inp
Commits >
Commit 9a893b9dbe73f1d3f49cd24e2707361da541a5ca >
Run intel-min-parallel: [intel2022a-mpi]
Matches
Name | Value | Reference | Precision | Difference | Status |
M-solvent int. energy @ t=0 | -3.215406787815773e+00 | -3.215406787815846e+00 | 2.120000000000000e-13 | 7.283063041541027e-14 | PASS |
M-solvent int. energy @ t=5*dt | -3.215406787112951e+00 | -3.215406787112854e+00 | 2.000000000000000e+00 | -9.769962616701378e-14 | PASS |