Differences
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local_correlation_methods_with_pair_natural_orbitals_pnos [2024/01/20 09:23] – [Default and tight settings] werner | local_correlation_methods_with_pair_natural_orbitals_pnos [2024/02/13 21:14] (current) – external edit 127.0.0.1 | ||
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|Large domains for (T0) calculation occ. number threshold | |Large domains for (T0) calculation occ. number threshold | ||
|Small domains for (T) calculation occ. number threshold | |Small domains for (T) calculation occ. number threshold | ||
- | | **Pair approximations** (affected by '' | + | | **Pair approximations** (affected by '' |
- | |Close pair energy threshold | + | |Close pair energy threshold |
- | |Weak pair energy threshold | + | |Weak pair energy threshold |
- | |Distant pair energy threshold | + | |Distant pair energy threshold |
- | |Very distant pair energy threshold | + | |Very distant pair energy threshold |
- | |Triples preselection type |'' | + | |Triples preselection type |'' |
- | |Preselection of triples list | + | |Preselection of triples list |
- | |Selection of triples for iterations | + | |Selection of triples for iterations |
- | | **Local density fitting and RI approximations** (affected by '' | + | | **Local density fitting and RI approximations** (affected by '' |
- | |Connectivity criterion for DF domains | + | |Connectivity criterion for DF domains |
- | |Distance criterion for DF domains | + | |Distance criterion for DF domains |
- | |Connectivity criterion for RI domains | + | |Connectivity criterion for RI domains |
- | |Distance criterion for RI domains | + | |Distance criterion for RI domains |