molguin-qc Goto Github PK

aces4

Parallel Computational Chemistry Application

cp2k

Mirror of official svn repository at sourceforge. Synced every 5 minutes.

epfl-cosmo.github.io

Webpages for the code repositories of the Laboratory of Computational Science and Modelling @ EPFL

forcepy

Coarse-graining library that implements Force-matching

freeon

Linear Scaling Electronic Structure

hotbit

ASE density-functional tight-binding calculator

ictp-md

A simple MPI/OpenMP parallel classical MD engine written in Fortran

jeffhammond.github.io

My Home Page

lammps

Public/backup repository of the LAMMPS MD software package

libxphi

libxphi adds easy offload capabilities for blas3 and more

libxsmm

Library for small matrix-matrix multiplications targeting Intel Architecture (x86).

likwid

Performance monitoring and benchmarking suite

linux

Linux kernel source tree

lmfdb

L-Functions and Modular Forms Database

miami

Machine Independent Application Models for performance Insight

ohpc

OpenHPC Integration, Packaging, and Test Repo

parreskernels

A collection of programs for studying the features of parallel systems. Reference implementaitons use OpenMP or MPI.

perfexpert

An easy-to-use automatic performance diagnosis and optimization tool for HPC applications

pymic

pyscf

Python module for quantum chemistry

qephifft

This repository contains a version of QE performing the offload of the FFT on the Intel Xeon Phi card. This version is experimental and no support is granted.

surfaces-book

Book for a course in surface science

uquantchem

A versatile and easy to use Quantum Chemistry Computational Software

xpress-apex

Autonomic Performance Environment for eXascale (APEX)