
molsim-0.9.0
------------

Initial release for molsim - molecular simulations in GNU Octave

With this release: Wrapper for large part of the seplib functionality.
Allows simulations of

  * Standard Lennard-Jones systems
  * Molecular systems (bonds, angle, torsion angle)
  * Charged systems using the shifted force and Wolf methods 
  * Confined systems (eg slit-pores)
  * Thermostats
  * DPD simulations
  * Run-time sampling 
  * Simple setup

molsim-0.9.1
------------

  * Important memory leak fix.
  * Added molecular configurations

molsim-0.9.2
------------

  * Barostat implementet
  * First version of tutorial  
  * Bug fixes
  * More example scripts/functions

molsim-0.9.3 
------------

  * Added 'convert' action 
  * Molecular stress calculations now supported under parallisation 
  * Added more specifiers to action 'get': 'molvelocities', 'indices' 
  * Revision to tutorial
  * Changed actions 'thermostate' and 'barostate' to 'thermostat' and 'barostat'

molsim-0.9.4
------------

  * Added more specifiers to action 'get': 'charges', 'bondlengths', 'angles' and 'torsions'
  * Action 'compress' now allows anisotropic compression
  * Optimization to sf-Coulomb interaction calculations (seplib)
  * Revisions/update to tutorial
  * Minor bug squashing 
  * Initial version of a test script

molsim-0.9.5 
------------

  * A few bug fixes - thanks to Kai's compiler for pointing out these issues (seplib)
  * Added 'dihedral' specifier for to the calcforce action (alternative to but same as 'torsion')
  * Minor update to tutorial
  * Re-arrangement of the test suit and addition of some more tests (still a bit messy)
  * Added a release checklist

molsim-0.11.0
-------------

  * Added GJF Langevin integrator
  * Added function molslitconf.m to generate molecular fluid config in a slitpore  
  * Minor updates to tutorial
  * Documentation of resource files (will later be present in tutorial)
  * Only gcc now supported - added flag "-march=native"   

molsim-0.11.1
-------------

  * Added more specifiers to action 'set': 'mass'
  * Added auxillary functions: molsim_rdf, molsim_calcrdf, molsim_readxyz, molsim_calccf
  * Critical error in LJ force calculations fixed *sigh*
  * Small update to tutorial
  * Note: Last release in 0.X-series. GPU/CUDA support will be focus of 1.X series (seplib).

molsim-1.0.0
------------

  * Improved error handlig (ongoing issue).
  * Sparse CUDA support (checkout *.m files under the examples/ directory)
  * Update to documentation

molsim-1.0.1
------------

  * Some added documentation for windows installation (thanks to robertf)	
  * A few type inconsistencies raising warnings on some compilers (seplib issue - again thanks to robertf) 	
  * Added slitpore simulation to the example buffet
  * Added new sampler: scatt
  * Bug-fix in optimization for very small systems (seplib issue)	
  * Changed definition of bonded exclusion to include angles and torsions as well


