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.

Ask for Help

• You can directly contact me at liuyxpp@gmail.com.
• You can join the mailinglist by sending an email to scftpy@librelist.com and replying to the confirmation mail. To unsubscribe, send a mail to scftpy-unsubscribe@librelist.com and reply to the confirmation mail.

Links

• Documentation <http://pypi.python.org/pypi/scftpy>_
• Website <http://ngpy.org>_
• Development version <http://bitbucket.org/liuyxpp/scftpy/>_