Saturday, 22 December 2012

Schrödinger Lab 2.11 and beyond.

I've submitted the next update to Schrödinger Lab on the Apple App Store.   It fixes a nasty problem in which the code fails to run at all for people using OSX 10.7.  I traced the problem to a single field in Xcode (the Apple development environment), in which I had unfortunately set the deployment target of a code-library to 10.8, thus meaning it wouldn't compile on 10.7.

I of course apologize to all those affected, but mistakes do happen and it's not easy to check that the code I'm writing runs on OS versions other than the one I'm using.

After the next update, Schrödinger Lab should also run on OS 10.6.

Finally- the code now uses much less memory for the 2D palette calculations.



I'm now busy working on Schrödinger Lab 2.2 and I've got some cool stuff in the works.  The planned 2.2 update will allow the user to easily switch between displaying eigenfunctions or basis-functions.  Thus, at long last, users will be able to actually view the basis functions the code uses internally.

One of the main reasons I'm implementing this is because I've now implemented a set of 2D basis functions which are separable in the polar coordinates r=sqrt(x*x+y*y) and theta=atan2(x,y), which are given by (for mass=hbar=omega0=1)

Phi_mn(r,theta) = A exp[i m theta] L^n_m(r^2) exp(-r^2) r^m

where L^n_m are generalized Laguerre polynomials.

Some readers will recognize that this separable basis is essentially the 2D equivalent of the well known spherical harmonics solutions used in 3D problems with spherical symmetry.

Anyway- they're very pretty and by allowing users to view the basis functions directly, the code can be used to visualize these functions and to form different linear combinations.

Pictures soon!



Saturday, 15 December 2012

Schrödinger Lab 2.1

Here are some screenshots from the next update, which I expect to arrive about the 10th of January.












And here are the update notes:


Added solution of Schrödinger's eqn. for 2D time-dependent potentials. 

Improvements to documentation and further formatting improvements to help-text. 

The 1D palettes now color the magnitude squared eigenfunctions by their phase. 

The color scheme is now more consistent between the 1D and 2D palettes. 

2D palettes now show angular momentum values for wave-function and eigenfunctions. 

The 'commit' button in the 2D palettes now commits all changes across all boxes in the scroll bar. 

The palette titles are now set to the title of the file or the name of the example menu item. 

r (=sqrtf(x*x+y*y) is now a valid symbol in the 2D palette potential text-box. 

Various interface improvements, including improvements to the new palette menu. 

Fixed a bug in the 2D palette affecting some calculations in the infinite square well basis, especially the 2D double slit example.