PUPIL (Program for User Package Interface and Linking), is a software environment that allows developers to link quickly and efficiently together multiple pieces of software in a fully automated multi-scale simulation.
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New documentation release
- New revised manual v2.3 - New PUPIL Tutorial: "Using PUPIL to postprocess a MD trajectory obtained by Amber with a QM method from Gaussian03" http://pupil.sourceforge.net/tutorials/AmberGaussianPostprocess/index.html
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pupil pupil-v1.2.1 file released: PUPILv1_2_1_manual_v2_3.pdf
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pupil pupil-v1.2.1 file released: PUPILv1_2_1_manual_v2_3.pdf
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File released: /pupil/pupil-v1.2.1/PUPILv1_2_1_manual_v2_3.pdf
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Forum thread added
gustavoseabra created the Update to the webpage forum thread -
New release: version 1.2-1
This is a bugfix release, and includes the following changes: * Fixed a bug when killing PUPIL-workers * Fixed a bug in generating forces over MM atoms from interaction with electronic density from cube file * Implemented a "Terminating status" in libPUPIL.so * Revised manual * General language revision
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Project Information Updated
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Project Information Updated
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Project Information Updated
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pupil pupil-v1.2.1 file released: dlpoly_siesta_PUPILpatches-v1_2_1.tar.gz
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