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1 localorb - local orbital generated by BDF module localmo. Boys and trust region methods are used in orbital localization. bflmo: Boys. tlmo: trust region.
2 flmoorb - fragment local orbital generated by bottom-up method.
3 pflmo - norm-orthogonal pFLMO.
4 
 1. localorb - local orbital generated by BDF module localmo. Boys and trust region methods are used in orbital localization. bflmo: Boys. tlmo: trust region.
 2. flmoorb - fragment local orbital generated by bottom-up method.
 3. pflmo - norm-orthogonal pFLMO.
 4.

Bingbing Suo is own page.

Wiki logs

1 Add Wiki theme moin-mandarin. Look at the link https://bitbucket.org/thesheep/moin-mandarin

2 Try to edit a bdftheme from modernized theme.

  1. Make a copy of the 'modern' theme in the static files directory and call it 'bdftheme'
  2. Copy the script of this theme MoinMoin/theme/modern.py' to data/plugins/theme/bdftheme.py
  3. Edit the file 'bdftheme.py' and change at least the variable name = "modernized" to {name ="bdftheme"

Filename for all kind of local orbitals in BDF:

 1. localorb   - local orbital generated by BDF module localmo. Boys and trust region methods are used in orbital localization. bflmo: Boys. tlmo: trust region.
 2. flmoorb   - fragment local orbital generated by bottom-up method.
 3. pflmo      - norm-orthogonal pFLMO.
 4. 

Bingbing Suo (last edited 2023-05-30 14:27:17 by bsuo)