Pinned Repositories
fresnel
Publication quality path tracing in real time.
fresnel-examples
Example notebooks for fresnel
freud
Powerful, efficient particle trajectory analysis in scientific Python.
hoomd-blue
Molecular dynamics and Monte Carlo soft matter simulation on GPUs.
signac
Manage large and heterogeneous data spaces on the file system.
signac-flow
Workflow management for signac-managed data spaces.
contact_angle
Routines for calculating contact angles from wetting MD simulations
permeability
scripts to help calculate permeability
timplotlib
Some plotting functions I commonly use
tcmoore3's Repositories
tcmoore3/permeability
scripts to help calculate permeability
tcmoore3/timplotlib
Some plotting functions I commonly use
tcmoore3/block_avg
Block averaging scripts so I don't rewrite them every time
tcmoore3/cool-bash-stuff
A collection of useful (and cool!) bash scripts
tcmoore3/marble-dashboard
marble-dashboard
tcmoore3/foyer
A package for atom-typing as well as applying and disseminating forcefields
tcmoore3/gromacs
Public/backup repository of the gromacs molecular simulation toolkit
tcmoore3/groupy
pythonized group code
tcmoore3/hands-on-with-slate
Slate is a platform-as-a-service offering for OLCF users to run service-type workloads
tcmoore3/harry_potter_german_words
Word frequency analysis to help read Harry Potter und der Stein der Weisen (in German)
tcmoore3/hoomd-feedstock
A conda-smithy repository for hoomd.
tcmoore3/hoomd-funcs
Some helper functions for my simulations in hoomd
tcmoore3/linear_solver
Solve systems of linear equations
tcmoore3/lipids
My CG lipids
tcmoore3/lit-review-email
Template for lit review reminder email
tcmoore3/mbuild
mBuild is a component based molecule builder tool that relies on equivalence relations for component composition.
tcmoore3/mdtraj
A modern, open library for the analysis of molecular dynamics trajectories
tcmoore3/mpi-tutorial
tcmoore3/mpitutorial
MPI programming lessons in C and executable code examples
tcmoore3/msibi
A package for managing pair-potential derivation using MultiState Iterative Boltzmann Inversion (MS-IBI)
tcmoore3/msibi_utils
Some simple functions for analyzing MSIBI results.
tcmoore3/ObitScraper
tcmoore3/olcf-user-docs
Sources for the Oak Ridge Leadership Computing Facility User Documentation
tcmoore3/puzzles
tcmoore3/rc-files
rc files
tcmoore3/software-development
A primer on software development best practices for computational chemistry
tcmoore3/tcmoore3.github.io
My webpage
tcmoore3/test
tcmoore3/timtools
tcmoore3/vmd-scripts
useful vmd scripts