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A python package for performing polymer self-consistent field theory calculations.

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scftpy

scftpy is a python package for performing polymer self-consistent field theory calculations.

Quickstart

1. Install

$ easy_install scftpy

or

$ tar -xvf scftpy-xxx.tar.gz
$ cd scftpy-xxx
$ python setup.py install

Required packages:

  • `numpy`: chebpy heavily depends on numpy.
  • `scipy`: advanced algorithms, such as scipy.fftpack.dct.
  • `chebpy`: Chebyshev collocation methods for PDEs.

2. Usage

Here is an example of carrying out 1D unitcell calculations of A-B diblock copolymers.

$ from scftpy import Brush
$ sim = Brush('param.ini')
$ sim.run()

Note: you should modify the configuration file (param.ini) for different systems. A sample cofiguration file can be found in the package source root directory.

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A python package for performing polymer self-consistent field theory calculations.

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