welcome: please sign in
location: Diff for "Bingbing Suo"
Differences between revisions 5 and 6
⇤ ← Revision 5 as of 2014-01-10 03:03:06 →
Size: 492
Editor: 10
Comment:
← Revision 6 as of 2014-02-14 02:38:58 → ⇥
Size: 815
Editor: 10
Comment:
Deletions are marked like this. Additions are marked like this.
Line 12: Line 12:

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 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)