PSCF - Polymer Self-Consistent Field Theory

PSCF solves the Edwards self-consistent field theory (SCFT) for periodic phases formed by liquids containing block copolymers. It is designed to treat incompressible liquids that may contain any mixture of linear block copolymers, homopolymers, and small molecule solvents. It can describe 1, 2, and 3 dimensionally periodic ordered phases with any type of unit cell (e.g., cubic, orthorhombic, triclinic, etc.) with any specified space group symmetry. The underlying modified diffusion equation is solved with an efficient pseudo-spectral method. The code was designed for calculating phase diagrams by comparing free energies of competing ordered phases of known space group symmetry, and is particularly rich in features that facilitiate such calculations.

Features:

Dependencies:

The program is written in Fortran 90. It depends upon the open source FFTW Fast Fourier Transform library and the LAPACK linear algebra library.

Contributors:

Links:

Below, we provide links to a user manual for PSCF, the source code repository, a repository of examples, several types of binary installers, and a developers guide to the source code. Instructions for several ways of installing PSCF are given in the user manual.

The user manual is available via the above link either as a web manual or a pdf file. Click the small green button labelled "latest" on the user manual web page to obtain a view that provides access to a pdf copy. The user manual provides detailed explanations of alternative methods of how to obtain and install either source code or binary executable versions of the package.

The above links to the source code and examples direct the user to github repositories that contains these resources. The source code and examples can each be obtained from a corresponding github repositories either by using the "git" program to clone the repository (which we recommend, if you know how to do this, or are willing to learn), or by clicking a button on the repository site to download a zip file. Further instructions how to use git for this purpose are given in the user manual.

The developer web manual extracted automatically from documentation comments in the source code, and documents modules, public variables, and public subroutines in the Fortran source code. The developer manual also contains links to browseable html versions of the source code files.