Merge branch 'master' into devel

.travis.yml

@@ -2,6 +2,11 @@ sudo: required
 dist: trusty
 language: fortran
 
+branches:
+ only:
+ - master
+ - devel
+
 matrix:
  include:
  - os: linux

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
@@ -23,51 +23,71 @@ 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.
 
 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:https://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.
+