[Perl] Read file and store data in arrays

I use c++ to do most of my analysis. Sometimes, I might want to do some small calculations on the results from c++, and it can be executed faster with a script. I've used bash script to get certain information in c++ output files. While bash script might be handy to use, it can only do integer arithmetic. I have two columns of data, in...

Why computer simulations?

Simulations are relatively simple, inexpensive, and everything can be measured in principle. Not to reproduce experimental results (exception: testing the accuracy of potentials) Help to understand experimental results or to propose new experiments Test of theoretical predictions or theories Investigating systems on a level of detail which is not possible in real experiments or analytical...

LAMMPS - A free open-source MD package

LAMMPS stands for "Large-scale Atomic/Molecular Massively Parallel Simulator", which is a molecular dynamics simulation package distributed by National Sandia Lab. LAMMPS incorporate MPI so it could run in parallel or on single processor. The reason that I chose LAMMPS to simulate my ionomers for several reasons: It could run coarse-grained/united-atom...

Contact me

Mail me or stop by at:    115 Fenske Lab    Pennsylvania State University    University Park, PA 16802 Call me at my office:    (814) 863-2879 Or just email me:    kxl281[at]psu.e...