| About: |
CHIMP is a generic tool for the modeling of chemical phenomena. Eventually, chemical reaction modeling, molecular mechanics, and quantum mechanic modules will be implemented, along with an easy to use graphical-user interface (GUI). At present, CHIMP has the ability to perform dynamic Monte Carlo simulations on chemical reactions, in particular heterogeneous catalytic reactions. |
| Download: | You can download the source code for version 0.1 from SourceForge. |
| FAQ: |
1. What is CHIMP?
Well, CHIMP is not done yet, and it will eventually be much more
than it is now. So it depends on who you ask and what you mean.
One day CHIMP will (hopefully) serve all your chemistry modeling
needs: reaction/reactor modeling, advanced molecular mechanics
techniques, an entire suite of quantum mechanical methods, and
anything else you can convince us to do (or do yourself).
2. What does CHIMP do?
Right now, CHIMP is capable of reading in a text description of a
chemical reaction mechanism and integrate the species balance
and reactor design equations using a fast kinetic Monte Carlo
technique. These capabilities will be enhanced in the near
future.
3. Does CHIMP have a GUI?
No, but we would be happy to accept one.
4. How much does CHIMP cost?
Luckily for you, CHIMP is released under the GNU General Public
License, so it will always be freely available. That is,
you can always download it off the internet for free. In
addition, the GPL ensures that the source code is also always
available, so you can poke around and find out what makes it
tick, fix bugs, and improve it yourself. In fact, all software
available at SourceForge is
distributed under some Open
Source license.
5. Under what platforms does CHIMP run?
CHIMP is being developed using GCC3
in the Linux programming environment. It is being
written in ISO/ANSI C and C++, so it should compile and run on any
machine with a standards compliant compiler (this is easy for C,
not so easy for C++). If your systems does not have a native,
standards compliant compiler, get the latest version of
GCC. It is also best to use
the GNU assembler
gas
because of the long symbol names g++ generates. See the
GCC FAQ
for details.
|
| Documentation: |
There is no formal documentation now. You can look at the examples in the test directory that comes with the source code. You can also email the maintainer. |
| Help: | If you would like to help develop CHIMP, go to the SourceForge development information page. |
| Contact: | David Dooling (remove twice the SPAM) |