welcome: please sign in
location: Diff for "Bingbing Suo"
Differences between revisions 8 and 9
Revision 8 as of 2014-02-14 02:39:37
Size: 833
Editor: 10
Comment:
Revision 9 as of 2014-02-14 02:46:00
Size: 835
Editor: 10
Comment:
Deletions are marked like this. Additions are marked like this.
Line 15: Line 15:
 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.
 2. blmo - Boys.
 3. tlmo - Trust region.
 4.
flmoorb - fragment local orbital generated by bottom-up method.
 5. pflmo - norm-orthogonal pFLMO.

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. 
 2. blmo  - Boys.
 3. tlmo  - Trust region.
 4. flmoorb - fragment local orbital generated by bottom-up method.
 5. pflmo  - norm-orthogonal pFLMO.

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