CCL:G: Software announcement: Release of PUPIL 2.0

 Sent to CCL by: Joan Torras [joan.torras=upc.edu]
 We are pleased to announce the release of PUPIL 2.0.
 PUPIL (Program for User Package Interface and Linking), is a software
 environment that allows users and developers to link quickly and
 efficiently together multiple pieces of software in a fully automated
 multi-scale simulation.
      * Graphic User Interface to build the main simulation input file.
* Simulation Manager to lead the multi-scale simulation between different Calculation Units. 
      * Interface with Amber v10, v11 and v12
      * Interface with DL_CLASS v1.9 (DL_POLY)
      * Interface with Gaussian03 and 09
      * Interface with deMon2k
      * Interface with NWChem
      * Interface with Siesta v3.1 (Start/Stop and CycleQM behaviors)
      * Interface with mndo97 (Start/Stop QM role behaviors)
* stubMD. Stub program for interface sample and testing playing a Molecular Dynamics Calculation Unit role. * stubQM. Stub program for interface sample and testing, playing a Cycle Quantum Mechanics Calculation Unit role. * stubDI. Stub program for interface sample and testing,playing an external Domain Identifier Calculation Unit role. 
 New Features:
     * New user-friendly interface of partitioning rules dialogue
     * New Fixed link-pair rule has been added to the partitioning rules.
     * "Load/Save" feature in partitioning rules.
* Partitioning rules are evaluated at each simulation step only when distance-based partitioning rules are required. 
 For full details of PUPIL's features and capabilities, visit our web page:
 http://pupil.sourceforge.net/
     The PUPIL Team.