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Yale Department of Chemistry
- New Haven, CT
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Provides compile-time contraction pattern analysis to determine optimal tensor operation to perform.
C++ library for representing and handling of permutation groups.
A number of examples built on the method described in https://arxiv.org/abs/2005.06081 for solving nonlinear and integro-differential Volterra equations
Python-based plane wave density functional theory code for educational purposes
nsync is a C library that exports various synchronization primitives, such as mutexes
Project Cytnx, A Cross-section of Python & C++,Tensor network library
Miller is like awk, sed, cut, join, and sort for name-indexed data such as CSV, TSV, and tabular JSON
Accurate many-body perturbation theory calculations of the electronic structure of molecules and clusters
Python wrapper for Intel Math Kernel Library (MKL) matrix multiplication
YASK--Yet Another Stencil Kit: a domain-specific language and framework to create high-performance stencil code for implementing finite-difference methods and similar applications.
Samples for CUDA Developers which demonstrates features in CUDA Toolkit
An efficient C++17 GPU numerical computing library with Python-like syntax
PyCC is a simple, Python-based, reference implementation of the coupled cluster method of ab initio quantum chemistry.
do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals
Automatic C++ library api documentation generation: breathe doxygen in and exhale it out.
KaMPIng: (Near) zero-overhead MPI wrapper for modern C++
MPI4All: Universal Binding Generation for MPI Parallel Programming