frobnitzem/hirshfeld

Stars
4
Rank 3,304,323 (Top 66 %)
Language
Python
License
Apache License 2.0
Created almost 3 years ago
Updated over 1 year ago

frobnitzem/hirshfeld

frobnitzem

There are no reviews yet. Be the first to send feedback to the community and the maintainers!

Hirshfeld Analysis module for PySCF

pbctools

Development version of the pbctools plugin for VMD.

rbtree

C Implementation of Red/Black Trees

libdag

GNU-C and Posix Thread Library for Parallel Execution of Task Graphs

mpi_list

A package for working with lists distributed over MPI

spackCF

Spack Wrapper for Compute Facilities

aiowire

aiowire - A simple event loop using asyncio

lclstream

Image streaming application for psana.

chan9

Fork of the go9p library at code.google.com/p/go9p

EwaldCorrel

Simultaneous Implementation of Smooth Particle Mesh Ewald summation and Fourier Space Correlation Calculations

indysccapi

A REST API for Programming Competition Results

scicomp-recipes

Recipes for Scientific Computing

nightly

Nightly Build and Run Testing System

classifier

Monte Carlo Sampler for Bernoulli Mixture Models

chemparam

Automate force matching for legacy forcefields

hpl-hpcg

HPL & HPCG Walkthrough

realpole

Code for real-space quadrature representation of multipole expansions

rc-org

An organization promoting the adoption and standardization of the rc shell.

psik

Portable Submission Interface for Jobs

BDAS

Parallel Core Data Analytics Methods in Python/Numpy/Cupy/Mpi4Py

slack

SLACK: Standard Linear Array Computation Kernels

dwork

Distributed Work Scheduling System

sprotoc

Callback-based Implementation of Google Protocol Buffers for C

forcesolve

General Purpose Programmable Force Matching Code

sars_docking

Summary secondary data and scripts for working with SARS-Cov2 gigadocking dataset: https://dx.doi.org/10.13139/OLCF/1783186

autoQCT

Automated QCT Analysis