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.
- 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.