CPL Library is a communications and topology management system for coupling any continuum fluid dynamics (CFD) solver to any molecular dynamics (MD) code written in either Python, C, C++ or Fortran. For more details about the philosophy, range of validity and aims of this software, please see the wikki page and our dedicated website www.cpl-library.org A demonstration of CPL Library's capability is included in the "demo" folder. Inside the demo, "dummy" MD and CFD programs are coupled via CPL Library and exchange data on a virtual topology. The user is encouraged to examine the source code of these programs, which are an easy-to-understand example of how to couple other programs with CPL Library.
- Pre-requisites for compilation
- Install
a) Compiling the library
b) Compiling and running the demo programs - License
- A C++11 compiler
- A Fortran 2008 compiler
- An MPI library
CPL Library was developed and tested using the GCC compiler collection and MPICH, which are both free and open-source.
Compiling CPL Library with GCC, as a shared library, is likely to work with the makefile provided in the top level directory:
$ cd /PATH/TO/cpl-library
$ make
If this doesn't work, the compilers and flags may need to be specified manually. The makefiles provided with CPL Library import flags and variables from the make/[platform].inc, where the variable [platform] is specified by the file make/PLATFORM. A number of template are provided in make, and the file make/PLATFORM contains the string "gcc" by default to use make/gcc.inc. The GCC template is likely to work for most machines, but the user may create their own version. For example, to create make/user-include.inc:
$ cd ./make
$ cp gcc.inc user-include.inc
$ vi user-include.inc (make any necessary changes)
$ cd ../
$ make PLATFORM=user-include
Please see:
www.cpl-library.org/user-guide/quick-start.shtml
CPL Library is released under the GNU GPL v3 license. Details are found in the file LICENSE that is included with the release.