liuyxpp/scftpy

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

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 [email protected].
• You can join the mailinglist by sending an email to [email protected] and replying to the confirmation mail. To unsubscribe, send a mail to [email protected] and reply to the confirmation mail.

Links

• Documentation
• Website
• Development version