Re: [Jmol-developers] JavaScript MO calculation

2012-10-14 Thread Alexander Rose
Hi, Am 14.10.2012 um 17:55 schrieb Robert Hanson: > I've changed that to "fill nomesh" for the MO display, and it rotates > smoothly. On my laptop is takes about 5 seconds for Firefox to load the file > and display the HOMO or LUMO. With Chrome it is about 4 seconds. I'd be > interested in wh

Re: [Jmol-developers] JavaScript MO calculation

2012-10-14 Thread Robert Hanson
I've changed that to "fill nomesh" for the MO display, and it rotates smoothly. On my laptop is takes about 5 seconds for Firefox to load the file and display the HOMO or LUMO. With Chrome it is about 4 seconds. I'd be interested in what other people find. On Sun, Oct 14, 2012 at 11:27 AM, Robert

Re: [Jmol-developers] JavaScript MO calculation

2012-10-14 Thread Robert Hanson
That's right. What I need to do is redo the various mesh renderers to allow for Cartesian coordinates and not just screen coordinates. That's not going to work, because we lose resolution in converting to screen coordinates and back. That won't be too hard to do. Not today, though... Bob On Sun

Re: [Jmol-developers] JavaScript MO calculation

2012-10-14 Thread Takanori Nakane
Hi, > Rendering is unacceptably slow, and I have to look into why that is, but > there is certain to be some optimization that can be done there on the > JavaScript side. Judging from your screenshot, the problem is that wireframe is rendered as LOTs of cylinders. In Export3D.js, drawLine() calls

[Jmol-developers] JavaScript MO calculation

2012-10-14 Thread Robert Hanson
Make you a bet this is the first time anyone has ever created and displayed a molecular orbital using only JavaScript from scratch -- coordinates, basis functions, and coefficients. Actually, maybe in any way at all, come to think of it Command given was: load cl2o.gamess;model 1.2;mo homo :