ML LBASIS DISCARD: Difference between revisions
No edit summary |
No edit summary |
||
| Line 6: | Line 6: | ||
For {{TAG|ML_LBASIS_DISCARD}}=.FALSE. (default), whenever the number of local reference configurations for a given species would exceed the maximum number of allowed configurations {{TAG|ML_MB}}, the code will terminate (soft exit) and request the user to continue with and increased number for {{TAG|ML_MB}}. | For {{TAG|ML_LBASIS_DISCARD}}=.FALSE. (default), whenever the number of local reference configurations for a given species would exceed the maximum number of allowed configurations {{TAG|ML_MB}}, the code will terminate (soft exit) and request the user to continue with and increased number for {{TAG|ML_MB}}. | ||
For {{TAG|ML_LBASIS_DISCARD}}=.TRUE. the code will not stop, whenever the number of local reference configurations for a given species would exceed the maximum, but old configurations are replaced by new ones. | |||
== Related tags and articles == | == Related tags and articles == | ||
Revision as of 12:53, 20 July 2022
ML_LBASIS_DISCARD = [logical]
Default: ML_LBASIS_DISCARD = .FALSE.
Description: Controls whether calculation is continued or stopped after the maximum number of local reference configurations ML_MB for a given species is reached.
For ML_LBASIS_DISCARD=.FALSE. (default), whenever the number of local reference configurations for a given species would exceed the maximum number of allowed configurations ML_MB, the code will terminate (soft exit) and request the user to continue with and increased number for ML_MB.
For ML_LBASIS_DISCARD=.TRUE. the code will not stop, whenever the number of local reference configurations for a given species would exceed the maximum, but old configurations are replaced by new ones.