From owner-chemistry@ccl.net Mon Aug 15 15:39:00 2011 From: "Joan Torras joan.torras[a]upc.edu" To: CCL Subject: CCL:G: Software announcement: Release of PUPIL 1.4 Message-Id: <-45260-110815142053-8484-uIdCwhjue3SaaKUi8ai+qw[A]server.ccl.net> X-Original-From: Joan Torras Content-Type: multipart/alternative; boundary="------------090509030008020203080002" Date: Mon, 15 Aug 2011 20:20:12 +0200 MIME-Version: 1.0 Sent to CCL by: Joan Torras [joan.torras|-|upc.edu] This is a multi-part message in MIME format. --------------090509030008020203080002 Content-Type: text/plain; charset=ISO-8859-1; format=flowed Content-Transfer-Encoding: 7bit We are pleased to announce the release of PUPIL 1.4. 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 inputfile. * Simulation Manager to lead the multi-scale simulation between different Calculation Units. * Interface with Amber v10 and v11 * Interface with DL_CLASS v1.3 (DL_POLY) * Interface with Gaussian03 and 09 * Interface with deMon2k * Interface with NWChem * Interface with Siesta v3.0 (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. For full details of PUPIL's features and capabilities, visit our web page: http://pupil.sourceforge.net/ --------------090509030008020203080002 Content-Type: text/html; charset=ISO-8859-1 Content-Transfer-Encoding: 7bit We are pleased to announce the release of PUPIL 1.4.

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.
For full details of PUPIL's features and capabilities, visit our web page:
        http://pupil.sourceforge.net/


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