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blacspp

Modern C++ (C++17) wrappers for BLACS

blaspp

btas

Basic Tensor Algebra Subroutines

cmake-modules

Collection of modern CMake modules that target HPC software

cmakepackagingproject

A C++ dependency manager written in CMake

cuda_gau_eval

cv

My CV

cxxblacs

A simple C++ Wrapper for BLACS along with minimal extra functionality to aid the the high-level development of distributed memory linear algebra

dftnotes

Notes on spinor DFT theories

dvcxx

Modern C++ GPU memory management

exchcxx

Exchange correlation (XC) library for density functional theory (DFT) calculations in modern C++

gau2grid

Fast computation of a gaussian and its derivative on a grid

gaussian_realtime_parse

parses output of gaussian realtime scf files

gauxc

GauXC is a modern, modular C++ library for the evaluation of quantities related to the exchange-correlation (XC) energy (e.g. potential, etc) in the Gaussian basis set discretization of Kohn-Sham density function theory (KS-DFT) on heterogenous architectures.

generalexam

My General Exam written report and presentation. In partial fulfillment of the Ph.D. requirements at the University of Washington

haxx

HAXX (Hamilton's Quaternion Algebra for CXX) is a C++ software infrastructure for the development of efficient scalar and tensorial quaternion algorithms.

hpcc-17-2-2017

integratorxx

Reusable DFT Grids for the Masses

lapackpp

libint

Libint is a high-performance library for computing Gaussian integrals in quantum mechanics

libintx

libmsym

molecular point group symmetry lib

libpfasst

A lightweight implementation of the PFASST algorithm

linalg-cmake-modules

A set of CMake Modules for robust linear algebra discovery

linter-action-example

macis

A modern C++ library for high-performance configuration interaction methods

metis

METIS - Serial Graph Partitioning and Fill-reducing Matrix Ordering

mxx

C++11 Message Passing

phd-thesis

scalapackpp

C++17 Wrapper for ScaLAPACK