Beast code in Giters

Benjamin Pritchard's repositories

BPHash

Simple hashing library for C++

Language:C++BSD-3-Clause3 5 1

memwatch

Memory management via preload

Language:C1 2 1

phymol-binding

Materials for the language binding tutorial for PHYMOL September 2024

Language:Fortran100

temperature_cpp

Language:PythonBSD-3-Clause1 2 1

ThrowStream

An easy way to throw descriptive exceptions

Language:C++MIT100

BPLightContraption

Computer-controlled lights and a blender!

Language:C++MIT020

BPPrint

Safe, flexible C++ formatted printing library

Language:C++BSD-3-Clause020

build_scripts

Personal build scripts and Lmod module files

Language:Shell020

cmake_tutorial

Tutorial for CMake

Language:C++000

conda-forge-repodata-patches-feedstock

A conda-smithy repository for conda-forge-repodata-patches.

Language:PythonBSD-3-Clause000

cpp_tutorial_sss2019

Language:C++000

CrystaLattE

Set of scripts to automate the calculation of crystal lattice energies.

Language:PythonLGPL-3.0000

geomeTRIC

Geometry optimization code that includes the TRIC coordinate system

Language:PythonNOASSERTION000

msfdevops

Example repository for MSF bootcamp devops

BSD-3-Clause020

planets

LGPL-3.001 15

jhub_deploy

Language:Python000

msf_2024

Language:PythonBSD-3-Clause000

psi4

Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python

Language:C++LGPL-3.0020

python-package-best-practices

Hands-on workshop showing good software development practices to create a Python package.

Language:PythonNOASSERTION000

QCElemental

Periodic table, physical constants, and molecule parsing for quantum chemistry.

Language:PythonBSD-3-Clause000

qcfractal-feedstock

A conda-smithy repository for qcfractal.

BSD-3-Clause000

qcportal-feedstock

A conda-smithy repository for qcportal.

BSD-3-Clause010

QCSchema

A Schema for Quantum Chemistry

Language:PythonBSD-3-Clause020

torsiondrive

Dihedral scanner with wavefront propagation

Language:PythonNOASSERTION000