Pinned Repositories
apartment_scraper
assorted_scripts
An assortment of shell scripts
game_graph
z_infrared
Calculates uncoupled infrared spectra of aqueous solutions according to the work of the Skinner group.
z_inst_surf
Calculation of instantaneous liquid interfaces based on the work of Willard and Chandler (J. Phys. Chem. B, 2010, 114 (5), pp 1954–1958)
z_msd
Calculates mean-squared displacement and diffusion coefficients from molecular dynamics simulations.
z_pmf
Calculation of potential of mean force (PMF) from umbrella sampling simulations using the weighted histogram analysis method (WHAM)
z_rdf
Calculates radial distribution functions (including various weighted variations) from molecular dynamics simulation data.
z_sfg
Calculates the sum-frequency generation (SFG) spectra of aqueous solutions according to the work of Skinner et al.
z_tetra
Calculates the tetrahedral order parameter from molecular dynamics simulation data
thekannman's Repositories
thekannman/z_sfg
Calculates the sum-frequency generation (SFG) spectra of aqueous solutions according to the work of Skinner et al.
thekannman/z_msd
Calculates mean-squared displacement and diffusion coefficients from molecular dynamics simulations.
thekannman/z_rdf
Calculates radial distribution functions (including various weighted variations) from molecular dynamics simulation data.
thekannman/z_infrared
Calculates uncoupled infrared spectra of aqueous solutions according to the work of the Skinner group.
thekannman/z_tetra
Calculates the tetrahedral order parameter from molecular dynamics simulation data
thekannman/apartment_scraper
thekannman/assorted_scripts
An assortment of shell scripts
thekannman/game_graph
thekannman/gitkube
Build and deploy docker images to Kubernetes using git push
thekannman/gradRScripts
thekannman/gsc_tools
thekannman/hive
Mirror of Apache Hive
thekannman/home_parser
Parses realtor sites
thekannman/jupybooks
Random jupyter notebooks
thekannman/kaggle
An assortment of kaggle competition entries
thekannman/maze_maker
thekannman/nuxt-template
thekannman/parsql
Parsing and creation of sql commands
thekannman/spark
Mirror of Apache Spark
thekannman/StatTrekker
A repository of the RMarkdown files from my blog, stattrekker.wordpress.com.
thekannman/vuetify-vim
This is an unofficial vim plugin that defines [UltiSnips](https://github.com/SirVer/ultisnips) snippets for vuetify.
thekannman/wastenot
Grocery planning to avoid food waste
thekannman/z_dft
A simple program to calculate the fourier transform of a time correlation function
thekannman/z_dvr
Calculates kinetic energy in the DVR basis and, given a potential, the eigenvalues of the Hamiltonian.
thekannman/z_energy_trace
Allows calculations of averaged energy and force traces relative to time-steps individually selected for each atom/molecule.
thekannman/z_machine
A collection of machine-learning tools
thekannman/z_res_tcf
Calculates residence time correlation function
thekannman/z_solvation
A simple program for determining whether solvent molecules are within a particular solvation shell of solute molecules.
thekannman/z_terahertz
Calculates terahertz spectra from molecular dynamics simulations
thekannman/z_when
Allows determination of the time step at which desorption/crossing events occur.