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
