Final changes ahead of first release

Allen-Tildesley · Jun 11, 2017 · 35ae1de · 35ae1de
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diff --git a/.gitignore b/.gitignore
@@ -1,5 +1,5 @@
 .DS_Store
 *.o
 *.mod
-a.out
 build_*
+a.out
diff --git a/CONTENTS.md b/CONTENTS.md
@@ -7,8 +7,7 @@ for easier comparison of the typical test results.
 Although links are provided here to the individual files,
 it is expected that you will have downloaded them all together.
 
-Not all the examples have online files:
-in some cases the code was provided in the text.
+Not all the examples have online files: in some cases the code was provided in the text.
 
 The utility module files
 [averages_module.f90](averages_module.f90),

diff --git a/GUIDE.md b/GUIDE.md
@@ -36,8 +36,7 @@ selecting `molecules="chain"`, an appropriate number of atoms, for example `n=13
 and `velocities=.true.` if required. There is an option `constraints=.true.` if the velocities
 should be chosen with constraints applied relative to the bonds between neighbouring atoms in the chain.
 
-A utility program,
-`adjust` takes in an MC or MD configuration and
+A utility program, `adjust`, takes in an MC or MD configuration and
 scales the velocities to change the kinetic energy per atom by a specified amount,
 and/or the positions (and the box length) to change the density by a specified amount.
 You may prefer to write your own program or script to perform these types of operation.

diff --git a/mc_nvt_lj_re.f90 b/mc_nvt_lj_re.f90
@@ -2,6 +2,29 @@
 ! Monte Carlo, NVT ensemble, replica exchange
 PROGRAM mc_nvt_lj_re
 
+  !------------------------------------------------------------------------------------------------!
+  ! This software was written in 2016/17                                                           !
+  ! by Michael P. Allen <[email protected]>/<[email protected]>                        !
+  ! and Dominic J. Tildesley <[email protected]> ("the authors"),                             !
+  ! to accompany the book "Computer Simulation of Liquids", second edition, 2017 ("the text"),     !
+  ! published by Oxford University Press ("the publishers").                                       !
+  !                                                                                                !
+  ! LICENCE                                                                                        !
+  ! Creative Commons CC0 Public Domain Dedication.                                                 !
+  ! To the extent possible under law, the authors have dedicated all copyright and related         !
+  ! and neighboring rights to this software to the PUBLIC domain worldwide.                        !
+  ! This software is distributed without any warranty.                                             !
+  ! You should have received a copy of the CC0 Public Domain Dedication along with this software.  !
+  ! If not, see <http://creativecommons.org/publicdomain/zero/1.0/>.                               !
+  !                                                                                                !
+  ! DISCLAIMER                                                                                     !
+  ! The authors and publishers make no warranties about the software, and disclaim liability       !
+  ! for all uses of the software, to the fullest extent permitted by applicable law.               !
+  ! The authors and publishers do not recommend use of this software for any purpose.              !
+  ! It is made freely available, solely to clarify points made in the text. When using or citing   !
+  ! the software, you should not imply endorsement by the authors or publishers.                   !
+  !------------------------------------------------------------------------------------------------!
+
   ! Takes in a configuration of atoms (positions)
   ! Cubic periodic boundary conditions
   ! Conducts Monte Carlo at the given temperature

diff --git a/python_examples/CONTENTS.md b/python_examples/CONTENTS.md
@@ -7,8 +7,7 @@ for easier comparison of the typical test results.
 Although links are provided here to the individual files,
 it is expected that you will have downloaded them all together.
 
-Not all the examples have online files:
-in some cases the code was provided in the text.
+Not all the examples have online files: in some cases the code was provided in the text.
 We have only provided a *selection* of examples in Python,
 whereas the full set is provided in Fortran.
 

diff --git a/python_examples/GUIDE.md b/python_examples/GUIDE.md
@@ -12,7 +12,7 @@ Variables may be created and redefined at runtime, as required.
 Object-oriented programming fits very well with the Python design,
 but it is well suited to other styles as well.
 It is widely used as a vehicle to introduce students to scientific programming.
-For an excellent introductory text, see
+For an excellent introductory text, see:
 
 * _Learning Scientific Programming with Python,_ C Hill (Cambridge University Press, 2015).