[AMBER] Software announcement: Release of PUPIL 1.4

From: Joan Torras <joan.torras.upc.edu>
Date: Mon, 15 Aug 2011 20:37:30 +0200

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/



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Received on Mon Aug 15 2011 - 12:00:04 PDT
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