berquist Goto Github PK

bisect

Bisection algorithms ported from Python, for Nim

blacken

Python Black for Emacs

blank

Starter Hugo theme for use as a template for building custom themes

blog-content

boys

Multiple algorithms for calculating the Boys function

boysfunction

Numerical experiments on the Boys function used in atomic integral computations

buildscripts

Scripts for building software on my various computers.

buildyourownlisp

Implementation of http://www.buildyourownlisp.com/.

cask

Project management tool for Emacs

cccbdb-calculation-parser

Pulls all geometry information from cccbdb.nist.gov for the specified chemical formula

ccinput

Computational Chemistry Input Generator

cclib

Parsers and algorithms for computational chemistry logfiles

cclib-ci

cclib ci docker images

cclib-ci-sandbox

Various experiments as part of https://github.com/shivupa/cclib-ci

cclib-data

Computational chemistry logfiles used as regression tests by cclib.

cclib-feedstock

A conda-smithy repository for cclib.

cclib-paper2

Second paper about cclib

cclib.github.io

Pages for cclib

cclib.jl

Parsers and algorithms for computational chemistry logfiles (Julia bindings to the cclib Python package).

cclib_custom

Customized quantum chemistry parsers for arbitrary attributes, built on top of cclib.

chargemol

2017-09-26 Linux source.

chemfiles.jl

Julia bindings to chemfiles

chemicaljson

Development of the Chemical JSON data representation

ci-yaml-string-escaping

YAML sandbox, because YAML is bad

cjson2cjson

cl-travis

Travis-CI scripts for testing Common Lisp software

clojure-deps-edn

A collection of useful configuration and aliases for deps.edn based projects

cm5charges

computes CM5 charges from ORCA output

cmake-format-lint-action

A Github Action to format CMake-specific files using cmake-format.

cmake_properties