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