Pinned Repositories
checkvnc
Tools to help users manage VNC virtual desktops
md_in_pchem
Topologies, structures, scripts, and documents for using molecular dynamics simulations in the teaching of physical chemistry
orca-tools
Some scripts for dealing with Orca quantum chemistry calculations
read_mdout
Convert AMBER mdout files to numpy arrays and/or HDF5 files.
westpa_py3
WESTPA: The Weighted Ensemble Simulation Toolkit with Parallelization and Analysis
zcluster-build-scripts
Software build scripts for my cluster
westpa
WESTPA: The Weighted Ensemble Simulation Toolkit with Parallelization and Analysis
mczwier's Repositories
mczwier/westpa_py3
WESTPA: The Weighted Ensemble Simulation Toolkit with Parallelization and Analysis
mczwier/md_in_pchem
Topologies, structures, scripts, and documents for using molecular dynamics simulations in the teaching of physical chemistry
mczwier/notetools
Tools for migrating handwritten notes to electronic formats
mczwier/checkvnc
Tools to help users manage VNC virtual desktops
mczwier/orca-tools
Some scripts for dealing with Orca quantum chemistry calculations
mczwier/read_mdout
Convert AMBER mdout files to numpy arrays and/or HDF5 files.
mczwier/zcluster-build-scripts
Software build scripts for my cluster
mczwier/breaklink
A little Python program to replace symlinks with the files they reference
mczwier/mczchem
LaTeX macros for my teaching
mczwier/mopac-wrapper
Wrapper for running MOPAC 2016 under WebMO. Enforces single-core use.
mczwier/pykpwgen
A Python password generator with options for memorability
mczwier/zchem
Python support routines for teaching
mczwier/zeta
Python packages and scripts for dealing with electronic structure calculations