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Matthew Zwier's Projects

breaklink icon breaklink

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

checkvnc icon checkvnc

Tools to help users manage VNC virtual desktops

md_in_pchem icon md_in_pchem

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

mopac-wrapper icon mopac-wrapper

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

notetools icon notetools

Tools for migrating handwritten notes to electronic formats

orca-tools icon orca-tools

Some scripts for dealing with Orca quantum chemistry calculations

pykpwgen icon pykpwgen

A Python password generator with options for memorability

read_mdout icon read_mdout

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

westpa_py3 icon westpa_py3

WESTPA: The Weighted Ensemble Simulation Toolkit with Parallelization and Analysis

zchem icon zchem

Python support routines for teaching

zeta icon zeta

Python packages and scripts for dealing with electronic structure calculations

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