Pinned Repositories
pjknowles's Repositories
pjknowles/a
pjknowles/b
pjknowles/CH5101-Key-Equations
pjknowles/conda-ci-testing
pjknowles/dependency-manager
CMake module for managing dependencies
pjknowles/dotfiles
Dotfiles for macOS
pjknowles/FinalProject
pjknowles/fortran-plugin
Fortran language plugin for IntelliJ Idea
pjknowles/G2-explore
pjknowles/ga
Partitioned Global Address Space (PGAS) library for distributed arrays
pjknowles/iMolpro
pjknowles/iMolpro-obsolete
pjknowles/iterative-solver
pjknowles/LBFGSpp
A header-only C++ library for L-BFGS algorithm
pjknowles/libgrpp
A library for the evaluation of molecular integrals of the generalized relativistic pseudopotential operator over Gaussian functions
pjknowles/library-manager
pjknowles/libtensor
C++ library for tensor computations
pjknowles/molpro-jupyter-demo
pjknowles/profiler
Simple class to collect and display code execution time statistics
pjknowles/PubChemPy
Python wrapper for the PubChem PUG REST API.
pjknowles/pymolpro
Python utilities for Molpro
pjknowles/pymolpro-feedstock
A conda-smithy repository for pymolpro.
pjknowles/pysjef-feedstock
A conda-smithy repository for pysjef.
pjknowles/sjef
Simple Job Execution Framework
pjknowles/staged-recipes
A place to submit conda recipes before they become fully fledged conda-forge feedstocks
pjknowles/temporary
pjknowles/test-github-workflow
pjknowles/test-pages-from-actions
pjknowles/test-raw-website
testing of imported html site
pjknowles/test-website
testing pages