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Misc #0000: Version bump to 2.0-a1.
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leetmaa committed Mar 28, 2016
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6 changes: 3 additions & 3 deletions README.md
Expand Up @@ -13,7 +13,7 @@ When you use *KMCLib* in your research please **cite** the paper describing the
Comput. Phys. Commun. 185 (2014) 2340
DOI: 10.1016/j.cpc.2014.04.017

If you use version 1.1 or later I would also ask you to include this reference:
If you use version *1.1* or later I would also ask you to include this reference:

Mikael Leetmaa and Natalia V. Skorodumova
“KMCLib 1.1: Extended random number support and technical updates to the KMCLib general framework for kinetic Monte-Carlo simulations“
Expand All @@ -32,7 +32,7 @@ The mean square displacement algorithm is described here:

*KMCLib* is a general framework for *lattice* kinetic Monte Carlo (KMC) simulations, to simulate the time evolution of systems of up to millions of particles in one, two or three dimensions. *KMCLib* is organized as a collection of Python frontend functions, classes and interfaces for performing efficient *lattice* KMC simulations, with all computationally heavy backend functionality implemented in C++.

Version *2.0* introduce support for having more than one particle per site. This was implemented to enable simulations of gas through porous solids as described in this paper:
Version *2.0* introduces support for having more than one particle per lattice site in the simulations. This was implemented to enable simulations of gas through porous solids as described in this paper:

Amber Mace, Mikael Leetmaa and Aatto Laaksonen
“Temporal Coarse Graining of CO2 and N2 Diffusion in Zeolite NaKA: From the Quantum Scale to the Macroscopic“
Expand All @@ -52,7 +52,7 @@ Version *2.0* also comes with improved performance. A framework for writing cust
### Well documented with usage examples and install instructions
The code manual (http://leetmaa.github.io/KMCLib/manual-v1.1/) includes full documentation of the Python interface and several usage examples, as well as installation instructions for both Linux and Mac.

There is at the time of writing no manual for version *2.0*. All features in version 1.1 should be unchanged however. If ever in doubt please check the source code for details.
There is at the time of writing no manual for version *2.0*. All features in version *1.1* should be unchanged however. If ever in doubt please check the source code for details.

### Known issues
Version *2.0* is still in an *alpha* stage. The set of features might change before the full version *2.0*, and bugs may be found and fixed, however the quality of the code at this stage should meet the same standards with respect to quality as the previous full version *1.1*. There are at the time of writing no known major bugs or issues, but as always, if you happen to find any bugs or issues, or if you have suggestions for improvements, please let me know.
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5 changes: 5 additions & 0 deletions RELEASE_NOTES.md
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##v2.0 alpha (Mars 28 2016)

Version *2.0* introduces support for having more than one particle per lattice site in the simulations. This was implemented to enable simulations of gas through porous solids. Version *2.0* also comes with improved performance. A framework for writing custom rate calculators in C++ has been added for performance sensitive applications. Once your custom rate calculator is prototyped and tested in Python you can port it to C++ for increased performance. A caching mechanism for custom rates is now also in place, that can significantly reduce computational time for time consuming custom rates calculations.

##v1.1 (May 28 2015)
***KMCLib* is now in version 1.1**

Version *1.1* introduces support for different random number generators, and increased support for different platforms and compiles. Random numbers are now generated using the standard (C++11) library and *KMCLib* from now on supports the use of both the Mersenne-Twister and the RANLUX PRNG:s through the standard C++ library. Additionally the standard minimal PRNG is also available, as well as true random numbers if you have a random device installed. The make system is upgraded to provide support for additional platforms and compilers. We now support the **clang** compiler on Mac OSX, and both the **gcc** and the **Intel C++ compiler** under Linux. Support for the **Intel C++ compiler** was requested for use in particular on large computer clusters with little flexibility to change compilers. At the time of writing there are no known bugs or issues, but as always, if you happen to find any bugs or issues, or if you have suggestions for improvements, please let me know.


##v1.1-b1 (December 17 2014)
***KMCLib* is now in version 1.1 BETA-1**

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