diff --git a/.travis.yml b/.travis.yml index 4585c6d..813c89d 100644 --- a/.travis.yml +++ b/.travis.yml @@ -2,6 +2,11 @@ sudo: required dist: trusty language: fortran +branches: + only: + - master + - devel + matrix: include: - os: linux diff --git a/README.md b/README.md index 5015328..66193ed 100644 --- a/README.md +++ b/README.md @@ -3,9 +3,9 @@ Copyright (2002-2016) Regents of the University of Minnesota PSCF is a Fortran 90 program for numerically solving the polymer -self-consistent field theory for periodic microstructures formed -by incompressible melts or mixtures of linear block copolymers, -linear homopolymers, and small molecule solvents. +self-consistent field theory (SCFT) for spatially periodic structures +formed by block copolymer melts and mixtures of block copolymers with +linear homopolymers and/or small molecule solvents. This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by @@ -23,15 +23,13 @@ the LICENSE file in the top-level PSCF directory. # Dependencies - PSCF depends upon the FFTW fast Fourier transform library and the - LAPACK linear algebra library. These packages must be installed - before attempting to compile the program from source. +PSCF depends upon the FFTW fast Fourier transform library and the +LAPACK linear algebra library. These packages must be installed +before attempting to compile the program from source. # User Documentation -A web user manual is avalaible at: - - https://pscf.readthedocs.io +A web user manual is available at https://pscf.readthedocs.io Instructions for compiling the program from source, as well as various ways to install precompiled executables, are given in the user manual. @@ -39,35 +37,57 @@ ways to install precompiled executables, are given in the user manual. The source files for the user manual are text files that are stored in the doc/user-man directory. The relevant files have file extension .rst. +We also recommend that users refer to the 2016 reference article from the +journal Macromolecules, cited below. This article provides a brief introduction +to SCFT, discusses some of the algorithms and file formats used in the PSCF +program, and discusses some issues and questions faced by first time users. + # Developer Documentation A local copy of the developer API documentation, which includes documentation for all modules, subroutines and public variables, may be regenerated by following instructions given in the file doc/README. -The resulting .html page are installed in doc/devel-man. +The resulting html pages are installed in the doc/devel-man directory. -# Directory Structure +# Reference Article - src/ - Fortran 90 source files - doc/ - documentation files - doc/user-man - - user manual source files - tools/ - Tools for processing output and source - tools/matlab - - matlab scripts for visualization - tools/python - - python modules - make/ - build directory for make +If you use PSCF in published work, we request that you cite the paper: -An annotated list of source files is given in the file src/SRC_FILES. -Before modifying any fortran files, see the note at the end of that -file regarding the use of preprocessor to generate some files. +"Broadly Accessible Self-Consistent Field Theory for Block Copolymer +Materials Discovery", A. Arora, J. Qin, D.C. Morse, K.T. Delaney, +G.H. Fredrickson, F.S. Bates and K.D. Dorfman, +Macromolecules 49, 4675 (2016) + +available electronically at http://pubs.acs.org/doi/10.1021/acs.macromol.6b00107 # Examples A library of examples is provided in a separate github repository, located at https://github.com/dmorse/pscf-examples +# Links + + - Home Page: https://morse.cems.umn.edu/morse/code/pscf/home.php.html + - Source Code: https://github.com/dmorse/pscf + - CI Server: https://travis-ci.org/dmorse/pscf + - Manual: https://pscf.readthedocs.io [buildstatus_image_travis]: https://travis-ci.org/dmorse/pscf.svg?branch=master [travisci]: https://travis-ci.org/dmorse/pscf [![Travis][buildstatus_image_travis]][travisci] +# Repository Directory Structure + + src/ - Fortran 90 source files + doc/ - documentation files + doc/user-man - - user manual source files + tools/ - Tools for processing output and source + tools/matlab - - matlab scripts for visualization + tools/python - - python modules + make/ - build directory for make + +An annotated list of source files is given in the file src/SRC_FILES. +Before modifying any fortran files, see the note at the end of that +file regarding the use of preprocessor to generate some files. +