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Patrick Avery (psavery)

psavery

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Company:Kitware

Location:USA

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Patrick Avery's repositories

randSpg

Random symmetric initialization of crystals

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avogadro

Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas. It offers flexible rendering and a powerful plugin architecture.

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genXrdPattern

Uses ObjCryst++ to generate a theoretical XRD pattern

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avogadro2-rpc-test

An RPC test for Avogadro2

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girderfilebrowser

A custom Qt file browser for browsing a girder server.

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afrl-automation

Our afrl automation scripts

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albany-docker

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avogadro-static-binary-plugins

A short guide for creating static binary plugins that are usable in Avogadro.

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avogadroapp

Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.

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cppcallpython

A test to call Python with C++ using Pybind11

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cpptest

A very basic cpp program

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cumulus

A REST API for creating and using cloud clusters

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doi2bib

get bib item given a doi

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friendly-computing-machine

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girder-cats-plugin

A plugin for some basic tests with girder.

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molequeue

Desktop integration of high performance computing resources

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multiscale

A girder plugin and client for our multiscale mechanics calculations

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netcdf-patch

Patch is for include/netcdf.h for Albany build

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ocrunner

Client for performing Open Chemistry calculations on a cluster.

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oop_sprint

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planets

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POSCARModules

Python modules for reading POSCARs, creating a Crystal object, and executing an external program - findsym - on the Crystal object

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QM_2017_SSS_Team1

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qthttprequesttest

A Qt test for an Http Request

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qwt

Unofficial git mirror of the official svn repo. Updated daily, with all branches.

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rdkit

The official sources for the RDKit library

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SMTK

Simulation Modeling Tool Kit

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SSS_2017_QuESt

The final project for the MolSSI 2017 summer school.

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with

Command prefixing for continuous workflow using a single tool.

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XtalOpt

Official public repository for the XtalOpt crystallographic evolutionary algorithm

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