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PolyOrder

PolyOrder is a C++ library and a robust framework for developing numerical polymer self-consistent field theory (SCFT) software.

Quickstart

1. Install

To make liborder.a:

$ make lib

You need to move the liborder.a from the build/lib directory to a directory known by your compiler. A gcc 4.5+ is recommended for building this library.

Requirements

  • FFTW 3.3+
  • Armadillo 4.3+
  • blitz++ (version contains tinyvec-et.h)
  • CMatFile.h and MatIO (-lmatio)
  • Simpleini.h + ConvertUTF.h + ConvertUTF.c

Additional library for charged polymers

  • libndarray.a (-lndarray, for CNDArray)

NOTE: For Mac OS x86_64, add ``-m64`` to ``CXXFLAGS`` in the Makefile

2. Usage

A typical use of PolyOrder is to write a main function which completes following tasks:

  • Select a polymer model and initialize it with an appropriate configuration file.
  • Use the created model instance to initialize the SCFT driver.
  • Run the driver instance.
  • Optional: you can record the run time.

Examples can be found in the scft directory.

To build your application, just compile and link your code with the PolyOrder library. You can also modify the Makefile in the root directory and build your application by

$ make main

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