Input 29-pcm_chlorine_anion.02-td_prop-n60.inp
Commits >
Commit 70b0ad3565a7ed52254e6fb5a8a40b027abeb4a7 >
Run foss_cmake: [foss2022a-serial, foss-full]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| M-solvent int. energy @ t=0 | -3.215406787815942e+00 | -3.215406787815846e+00 | 2.120000000000000e-13 | -9.636735853746359e-14 | PASS |
| M-solvent int. energy @ t=5*dt | -3.215406787113000e+00 | -3.215406787112854e+00 | 2.000000000000000e+00 | -1.461053500406706e-13 | PASS |