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.
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Received on Sun Jan 13 2013 - 16:00:02 PST
