Search found 23 matches

by ryeterrell
Sat Jul 26, 2008 3:41 am
Forum: tsase
Topic: User News & Notices
Replies: 8
Views: 26100

Re: User News & Notices

I changed how vsr displays things a little bit. This is the maxz thing that was bugging me, Matt. You might want to make sure it didn't mess up your addatom supergizmo. We should probably fix how cameraZ is initialized. One way is to check to see if an atom is available when the canvas is initialize...
by ryeterrell
Wed Jul 23, 2008 4:41 pm
Forum: tsase
Topic: tsse units
Replies: 1
Views: 12124

tsse units

There should be a list of standard tsse units...

Code: Select all

energy:          eV?
distance:        A?
time:            femtoseconds?
mass:            amu?
force:           ?
Please edit this post and make the appropriate changes.
by ryeterrell
Tue Jul 22, 2008 4:58 pm
Forum: tsase
Topic: Moving away from shadowing of built-ins
Replies: 3
Views: 17433

Re: Moving away from shadowing of built-ins

str_old and _new are now in the repository. I'll need to examine the examples and fix them. I understand your sentiment about getting rid of the less efficient string (it would be the "new" string, I believe), but I think at least one of the goals of the tsse package is to provide for some...
by ryeterrell
Tue Jul 22, 2008 4:17 pm
Forum: tsase
Topic: Moving away from shadowing of built-ins
Replies: 3
Views: 17433

Re: Moving away from shadowing of built-ins

I think the hard one here is going to be min. This will largely depend on how we implement minimization in the future. I'm currently experimenting with point and dimer to see how this might be done [relatively] cleanly. As far as the str goes, I think I can clear that up right now by renaming it. I'...
by ryeterrell
Fri Jul 18, 2008 11:08 pm
Forum: tsase
Topic: User News & Notices
Replies: 8
Views: 26100

Re: User News & Notices

vsr_2d has been added to the vsr directory. This can be used to visualize 2d potentials, along with drawing simple primitive shapes on top of them. Look at mc_metropolis.py and dimer.py for an example.
by ryeterrell
Fri Jul 18, 2008 1:35 am
Forum: tsase
Topic: Global optimizers?
Replies: 3
Views: 14256

Re: Global optimizers?

I would like that, myself.
by ryeterrell
Thu Jul 17, 2008 11:31 pm
Forum: tsase
Topic: User News & Notices
Replies: 8
Views: 26100

User News & Notices

22 July 2008 * Added parallel tempering. Uses Rye's metropolis. -Matt * Added simulated annealer with four sample schedule methods. Uses Rye's metropolis. -Matt 21 July 2008 * Added toy potential -Matt * Massively rewrote atom picker (still no solution for ambiguous wx events) - Matt 18 July 2008 * ...
by ryeterrell
Thu Jul 17, 2008 10:57 pm
Forum: tsase
Topic: Boolean parameters in tsse methods
Replies: 1
Views: 11317

Boolean parameters in tsse methods

... should have a convention.

Some of these are 'on' or 'off' (see neb), but it would be best, imho, to have a convention of True/False.

-Rye