cswartzvi Goto Github PK

comping

Composable actions in Python.

conda

OS-agnostic, system-level binary package manager and ecosystem

conda-mirror

Mirror upstream conda channels

conda-replicate

Manage local mirrored anaconda channels.

condax

Install and run applications packaged with conda in isolated environments

condenv

Package and dependency manager for anaconda.

cpython

The Python programming language

cswartzvi

Config files for my GitHub profile.

dictionary

Dictionary for testing with vscode extension Code Spell Checker

doit

task management & automation tool

dos-ldos-scripts

Scripts for various analysis of the Density of States and Local Density of States files

duckdb

DuckDB is an in-process SQL OLAP Database Management System

eleventy-starter-ghost

gen-projections

Wavefunctions projection of a single state onto a discrete spctrum of states (KS or Wannier)

gitignore

A collection of useful .gitignore templates

h3o-analysis

Programs for the Analysis of the H3O+ Defect system

hbonds

Calculate the number and type of Hydrogen Bonds, for a given water molcule, in a QE simulation

injector

Python dependency injection framework, inspired by Guice

kedro

A Python framework for creating reproducible, maintainable and modular data science code.

kedro-partitioned

Kedro plugin that extends support for partitioned data processing in Kedro

kedro-starters

Templates for your Kedro projects.

md-analysis

Analysis of Molecular Dynamics Simulations (General Simulations)

multi_submit

Script for submiting Multiple MD and GS Claculations (System Dependent)

oh-analysis

Programs for the Analysis of the OH- Defect system

opensafe

Visual SourceSafe wrapper for python (because legacy code is still a thing)

pandera

A light-weight, flexible, and expressive statistical data testing library

posh-direnv

powershell directory environment switcher

prefect

The easiest way to orchestrate and observe your data pipelines

qe-5.0_post-proc-mod

CPPP has been made to run in parallel in order to print multiple states. Also the KS Print Feature in CP has been alter to print multiple outs at once

readme-template

README.md template for your open-source project