Search found 37 matches
- Thu Jul 24, 2008 4:42 pm
- Forum: tsase
- Topic: User News & Notices
- Replies: 8
- Views: 60221
Re: User News & Notices
Add atom now works in vsr. Select an atom type via the Atom Picker, hold 'a' and click. The atom should appear at your mouse's x and y, and a reasonable z. Still needs a little polish. Also, box can now be drawn via View>Show Box. Supports non-orthogonal boxes (not very useful, nothing else in tsse ...
- Tue Jul 22, 2008 8:25 pm
- Forum: tsase
- Topic: Global optimizers?
- Replies: 3
- Views: 28400
Re: Global optimizers?
About the architecture: For simulated annealing and parallel tempering, it makes sense to have these classes possess a "move" object (i.e. Metropolis). I'm not sure whether this makes sense for Basin Hopping, however, because Basin Hopping is a surface transformation. Should the move objec...
- Tue Jul 22, 2008 4:22 pm
- Forum: tsase
- Topic: Moving away from shadowing of built-ins
- Replies: 3
- Views: 31581
Re: Moving away from shadowing of built-ins
I'm so tempted to use kidney, but I think I'll fix up the io files with kind replacing type. As for Type and AtomType, I'm not sure. Changing those will require changing a lot of code, and I think we should think the point object over thoroughly before then. str_old and str_new sound good for now, b...
- Tue Jul 22, 2008 4:01 pm
- Forum: tsase
- Topic: Moving away from shadowing of built-ins
- Replies: 3
- Views: 31581
Moving away from shadowing of built-ins
Presently, our namespace intersects with, and overrides, python's. This can cause built in features to be inaccessible. For example, if I import tsse.min, I cannot use the built-in min method. The short-term solution is to "import tsse.min as tmin", but I think it would be a good idea to f...
- Fri Jul 18, 2008 1:11 am
- Forum: tsase
- Topic: Global optimizers?
- Replies: 3
- Views: 28400
Global optimizers?
What are your thoughts on including basic global optimizers in tsse to go along with the local ones?
Re: PyPpenGL
Glad to hear that worked.
- Thu Jul 17, 2008 10:58 pm
- Forum: tsase
- Topic: Boolean parameters in tsse methods
- Replies: 1
- Views: 25095
Re: Boolean parameters in tsse methods
I agree with True/False. (Also, you can find 1/0 in dyn.)