Posted by chemicalcraig under Grad School
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It’s been a while since this thing’s been updated, but I’ve been living a fairly solitary existence consisting of programming, programming and yet more programming. After spending all last week writing my necessary subroutines to calculate the equations of motion for a small molecule in a cryogenic crystal, using GSL vectors and matrices, I found that I had some fatal flaws. I had some serious scope issues and now have to rewrite it all using arrays. My advice to anyone who wants to try this is to use nonstructured arrays from the beginning.
And if anyone knows of a LAPACK package compatible with c++ that will compile with the latest version of gcc let me know. I know that TNT has superceded LAPACK++, but I don’t want to use structured arrays. At this point I just want my program to work.
But even if I do get it working soon I can’t do anything with it for at least a month due to my favorite yearly event. No, hike naked day isn’t coming late this year, it’s the ever destructive annual campus-wide electrical shutdown. There’s nothing like a good ten-second power outage to disrupt months of research.