Jon Bender's repositories
abipy
Open-source library for analyzing the results produced by ABINIT
ann-benchmarks
Benchmarks of approximate nearest neighbor libraries in Python
atomate
atomate is a powerful software for computational materials science and contains pre-built workflows.
Block
Block implements the density matrix renormalization group (DMRG) algorithm for quantum chemistry.
BTAS
Basic Tensor Algebra Subroutines
CompLotkaVolterra
Competitive Lotka–Volterra equations, solved using Runge-Kutta methods. Four dimensional system.
DataAnalysis
Software for analysis of time-resolved and transient absorption data from pump-probe experiments (1D) and 2D-IR
DeepQMC
Deep Learning for Quantum Monte Carlo Simulations
dispy
Distributed and Parallel Computing Framework with / for Python
dmrgpp
A free and open source implementation of the DMRG Algorithm
EigenCuda
Offload Eigen operations to GPUs
eigenvalues
Davidson symmetric matrices algorithm
emmet
Be a master builder of databases of material properties. Avoid the Kragle.
ExchCXX
Exchange correlation (XC) library for density functional theory (DFT) calculations in modern C++
mpmorph
MPmorph is a collection of tools to run and analyze ab-initio molecular dynamics (AIMD) calculations run with VASP, and is currently under development. It relies heavily on tools developed by the Materials Project (pymatgen, custodian, fireworks) and atomate.
neo
A matrix library
powerline-shell
A beautiful and useful prompt for your shell
q-e
Mirror of the Quantum ESPRESSO repository
RayTracer
A ray tracing program
rocketsled
plug-n-play black box optimizer for high-throughput computing
Scattering
Scattering on a Lennard-Jones potential, cross-section computation.
scholarly
Retrieve author and publication information from Google Scholar in a friendly, Pythonic way
SHGYield
A Python program for calculating the surface SHG yield for semiconductors.
sparse
Sparse multi-dimensional arrays for the PyData ecosystem
tblis
TBLIS is a library and framework for performing tensor operations, especially tensor contraction, using efficient native algorithms.
wannier90
Official repository of the Wannier90 code
wepy
Weighted Ensemble simulation framework in Python (Mirror of main private development repo. After the main release the development of the project will become public.)