kewh5868

2D_diffraction

add2019-diffpy-cmi

DiffPy-CMI tutorial files for the ADD2019 workshop, ILL, Grenoble

ascent

A flyweight in situ visualization and analysis runtime for multi-physics HPC simulations

Auto-GPT

An experimental open-source attempt to make GPT-4 fully autonomous.

cif2vasp

Converts (most) CIF files to VASP's POSCAR format

conduit

Simplified Data Exchange for HPC Simulations

CS102-Algorithm-Analysis

Algorithm Analysis

fullrmc

It's a Reverse Monte Carlo (RMC) package, designed with Artificial intelligence and Reinforcement Machine Learning algorithms to solve atomic/molecular model structure by moving its atoms positions until they have the greatest consistency with a set of experimental data and definitions.

2024-RetreatDataTutorial

PyHyperScattering

Tools for hyperspectral x-ray and neutron scattering data loading, reduction, slicing, and visualization.

kewh5868/2D_diffraction

kewh5868/ascent

A flyweight in situ visualization and analysis runtime for multi-physics HPC simulations

kewh5868/Auto-GPT

An experimental open-source attempt to make GPT-4 fully autonomous.

kewh5868/conduit

Simplified Data Exchange for HPC Simulations

kewh5868/cvxbook_additional_exercises

Additional exercises and data for EE364a. No solutions; for public consumption.

kewh5868/diffpy.pdfgui

graphical user interface for real space structure refinement to PDF

kewh5868/Dioptas

Python based GUI-Program for integration and exploration of 2D x-ray diffraction images.

kewh5868/fullrmc

It's a Reverse Monte Carlo (RMC) package, designed with Artificial intelligence and Reinforcement Machine Learning algorithms to solve atomic/molecular model structure by moving its atoms positions until they have the greatest consistency with a set of experimental data and definitions.

kewh5868/getting-started-app

A simple application for the getting started guide in Docker's documentation

kewh5868/giwaxs_suite-alevin

Personal repository for GIWAXS data & analysis

kewh5868/HPC

A collection of various resources, examples, and executables for the general NREL HPC user community's benefit. Use the following website for accessing documentation.

kewh5868/InSitu-Vis-Tutorial2022

source code and documentation for the In Situ Analysis and Visualization with ParaView Catalyst and Ascent tutorial

kewh5868/METIS

METIS - Serial Graph Partitioning and Fill-reducing Matrix Ordering

kewh5868/OmpCommonCore

Software to support people learning OpenMP with our book ... The OpenMP Common Core: Making OpenMP Simple Again

kewh5868/ophyd

hardware abstraction in Python with an emphasis on EPICS

kewh5868/pyDABAX

Fast unified access to the famous dabax x-ray database.

kewh5868/pygix

A python library for reduction of 2-dimensional grazing-incidence and fibre diffraction data

kewh5868/PyHyperScattering

Tools for hyperspectral x-ray and neutron scattering data loading, reduction, slicing, and visualization.

kewh5868/rapid2

Data connected jupyter notebook for the rapid2 paper

kewh5868/SIRIUS

Domain specific library for electronic structure calculations

kewh5868/spglib

C library for finding and handling crystal symmetries

kewh5868/Xi-cam

Xi-cam is a graphical environment for synchrotron data analysis, management, and visualization developed by the Advanced Light Source at Lawrence Berkeley National Laboratory. This is a cross-platform open-source Python project licensed under BSD.

kewh5868/xray-scattering-tools

Scripts to analyze data from synchrotron X-ray scattering measurements

kewh5868/xrdphase

kewh5868/DEBUSSY_v2.2-UNIX

Debussy v2.2 for UNIX systems

kewh5868/debyer

Debye's scattering equation & other analysis of atomistic models.

kewh5868/DiffuseCode

Suite of programs to simulate disordered and nanomaterials

kewh5868/fpm

Fortran Package Manager (fpm)

kewh5868/giwaxs_forward_sim

kewh5868/packmol

Packmol - Initial configurations for molecular dynamics simulations