Additions and bug fixes

31 Jan 2016

5 Dec 2016

29 Nov 2016

4 Oct 2016

18 Sep 2016

6 May 2016

22 Apr 2016

5 Feb 2016

26 Jan 2016

14 Jan 2016

15 Dec 2015

17 Jun 2015

24 Mar 2015

20 Mar 2015

19 Mar 2015

12 Mar 2015

10 Mar 2015

28 Jan 2015

19 Dec 2014

10 Dec 2014

14 Mar 2014

27 Feb 2014

5 Nov 2013

30 Sep 2013

24 Sep 2013

20 Sep 2013

29 Aug 2013

26 Aug 2013

17 Jun 2013

10 Jun 2013

3 Dec 2012

18 Nov 2012

9 Nov 2012

3 Oct 2012

25 Sep 2012

6 Sep 2012

21 Aug 2012

31 Jul 2012

16 Jul 2012

4 Dec 2009

31 Aug 2009

25 Aug 2009 - changed the requirement that states and reactions be specified by consecutive numbers; they now can be given names.

4 Aug 2009 - eliminated requirement to separately list states, in addition to reactions, in the reaction specification file.

3 Aug 2009 - fixed bug in outputting of multiple reactions, bug in makefile

30 Jun 2009

5 May 2009 - added PQR file option to make_trajectory program

16 Mar 2009 - in trajectory file, now prints out the first configuration state after a change in reaction state

17 Feb 2009

3 Feb 2009 - fixed a bug in the code that finds the smallest enclosing sphere of a collection of spheres. This could have affected collisions and short-ranged forces.

20 Jan 2009

7 Jan 2009 - made hydrodynamic interactions optional

6 Jan 2009

5 Jan 2009

2 Jan 2009 - the program inside_spheres now can handle pqrxml files in which the spheres are not numbered sequentially or continuously.

30 Dec 2008 - added another time-step tolerance parameter which is useful for small steps near a reactive state.

17 Dec 2008 - Lennard-Jones parameters now can have zero radii

16 Dec 2008

12 Dec 2008 - fixed bug in surface_spheres that was causing occasional problems with two-sided surface triangles.

11 Dec 2008

8 Dec 2008 - added the option of using Lennard-Jones forces among the spheres

18 Nov 2008 - fixed more 64-bit compatability issues

14 Nov 2008

7 Nov 2008

2 Nov 2008

30 Oct 2008

20 Oct 2008 - added the ability to start molecules from a bound configuration

16 Oct 2008

02 Oct 2008 -

Note: format for entering time-step tolerances has changed!

18 Sept 2008 - fixed compiler warnings and a shell portability issue

17 Sept 2008 - Refactored multithread part of code and documented interface. Fixed some portability issues with integers and 32 versus 64-bit machines.

9 Sept 2008 - Fixed portability issues with 64-bit machines