Beast code in Giters

Matthew Zwier's repositories

WESTPA: The Weighted Ensemble Simulation Toolkit with Parallelization and Analysis

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Topologies, structures, scripts, and documents for using molecular dynamics simulations in the teaching of physical chemistry

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Tools for migrating handwritten notes to electronic formats

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Tools to help users manage VNC virtual desktops

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Some scripts for dealing with Orca quantum chemistry calculations

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Convert AMBER mdout files to numpy arrays and/or HDF5 files.

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Software build scripts for my cluster

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A little Python program to replace symlinks with the files they reference

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LaTeX macros for my teaching

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Wrapper for running MOPAC 2016 under WebMO. Enforces single-core use.

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A Python password generator with options for memorability

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Python support routines for teaching

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Python packages and scripts for dealing with electronic structure calculations

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